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Pyrimidines And Derivatives

Aromatic organic compounds that consist of an aromatic six-membered ring containing two non-adjacent nitrogen atoms and four carbon atoms; includes compounds derived from pyrimidines.
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1 – 15 of 136 results
1

Thermo Scientific Chemicals Thiamine hydrochloride, 98.5-101.5%

CAS: 67-03-8 Molecular Formula: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.26 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

EDGE
PubChem CID 6202
CAS 67-03-8
Molecular Weight (g/mol) 337.26
ChEBI CHEBI:49105
MDL Number MFCD00012780
SMILES CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
Synonym thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride
IUPAC Name 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
InChI Key DPJRMOMPQZCRJU-UHFFFAOYSA-M
Molecular Formula C12H17ClN4OS·HCl
2

5-Fluorocytosine, 99+%

CAS: 2022-85-7 Molecular Formula: C4H4FN3O Molecular Weight (g/mol): 129.09 MDL Number: MFCD00006035,MFCD00179326,MFCD03547958 InChI Key: XRECTZIEBJDKEO-UHFFFAOYSA-N Synonym: 5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine PubChem CID: 3366 ChEBI: CHEBI:5100 IUPAC Name: 6-amino-5-fluoro-1H-pyrimidin-2-one SMILES: NC1=C(F)C=NC(=O)N1

EDGE
PubChem CID 3366
CAS 2022-85-7
Molecular Weight (g/mol) 129.09
ChEBI CHEBI:5100
MDL Number MFCD00006035,MFCD00179326,MFCD03547958
SMILES NC1=C(F)C=NC(=O)N1
Synonym 5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine
IUPAC Name 6-amino-5-fluoro-1H-pyrimidin-2-one
InChI Key XRECTZIEBJDKEO-UHFFFAOYSA-N
Molecular Formula C4H4FN3O
3

3-Pyrimidin-5-ylaniline, ≥97%, Thermo Scientific™

CAS: 69491-59-4 Molecular Formula: C10H9N3 Molecular Weight (g/mol): 171.203 MDL Number: MFCD06802522 InChI Key: DZEIKJMNXHOFHL-UHFFFAOYSA-N PubChem CID: 7162049 IUPAC Name: 3-pyrimidin-5-ylaniline SMILES: C1=CC(=CC(=C1)N)C2=CN=CN=C2

PubChem CID 7162049
CAS 69491-59-4
Molecular Weight (g/mol) 171.203
MDL Number MFCD06802522
SMILES C1=CC(=CC(=C1)N)C2=CN=CN=C2
IUPAC Name 3-pyrimidin-5-ylaniline
InChI Key DZEIKJMNXHOFHL-UHFFFAOYSA-N
Molecular Formula C10H9N3
4

5-Chloropyrimidine, 95%

CAS: 17180-94-8 Molecular Formula: C4H3ClN2 Molecular Weight (g/mol): 114.53 MDL Number: MFCD03840717 InChI Key: ZLNPDTOTEVIMMY-UHFFFAOYSA-N Synonym: pyrimidine, 5-chloro,5-chloro-pyrimidine,5-choloropyrimidine,5-chloranylpyrimidine,pubchem7041,pyrimidine, 5-chloro-6ci,8ci,9ci PubChem CID: 12600384 IUPAC Name: 5-chloropyrimidine SMILES: ClC1=CN=CN=C1

PubChem CID 12600384
CAS 17180-94-8
Molecular Weight (g/mol) 114.53
MDL Number MFCD03840717
SMILES ClC1=CN=CN=C1
Synonym pyrimidine, 5-chloro,5-chloro-pyrimidine,5-choloropyrimidine,5-chloranylpyrimidine,pubchem7041,pyrimidine, 5-chloro-6ci,8ci,9ci
IUPAC Name 5-chloropyrimidine
InChI Key ZLNPDTOTEVIMMY-UHFFFAOYSA-N
Molecular Formula C4H3ClN2
5

Pyrazolo[1,5-a]pyrimidine-5-carboxylic acid, 97%

CAS: 1086375-50-9 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.14 MDL Number: MFCD09414725 InChI Key: SBDWLDBGGVPVAR-UHFFFAOYSA-N Synonym: pyrazolo 1,5-a pyrimidine-5-carboxylic acid,pyrazolo 1?5-a pyrimidine-5-carboxylic acid,8-hydropyrazolo 1,5-a pyrimidine-5-carboxylic acid PubChem CID: 28875802 IUPAC Name: pyrazolo[1,5-a]pyrimidine-5-carboxylic acid SMILES: OC(=O)C1=NC2=CC=NN2C=C1

PubChem CID 28875802
CAS 1086375-50-9
Molecular Weight (g/mol) 163.14
MDL Number MFCD09414725
SMILES OC(=O)C1=NC2=CC=NN2C=C1
Synonym pyrazolo 1,5-a pyrimidine-5-carboxylic acid,pyrazolo 1?5-a pyrimidine-5-carboxylic acid,8-hydropyrazolo 1,5-a pyrimidine-5-carboxylic acid
IUPAC Name pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
InChI Key SBDWLDBGGVPVAR-UHFFFAOYSA-N
Molecular Formula C7H5N3O2
6

Thymine, 99%

CAS: 65-71-4 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00006026 InChI Key: RWQNBRDOKXIBIV-UHFFFAOYSA-N Synonym: thymine,5-methyluracil,thymin,2,4-dihydroxy-5-methylpyrimidine,thymine anhydrate,2,4 1h,3h-pyrimidinedione, 5-methyl,5-methylpyrimidine-2,4 1h,3h-dione,5-methyl-2,4 1h,3h-pyrimidinedione,thymin purine base,5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 1135 ChEBI: CHEBI:17821 IUPAC Name: 5-methyl-1H-pyrimidine-2,4-dione SMILES: CC1=CNC(=O)NC1=O

EDGE
PubChem CID 1135
CAS 65-71-4
Molecular Weight (g/mol) 126.11
ChEBI CHEBI:17821
MDL Number MFCD00006026
SMILES CC1=CNC(=O)NC1=O
Synonym thymine,5-methyluracil,thymin,2,4-dihydroxy-5-methylpyrimidine,thymine anhydrate,2,4 1h,3h-pyrimidinedione, 5-methyl,5-methylpyrimidine-2,4 1h,3h-dione,5-methyl-2,4 1h,3h-pyrimidinedione,thymin purine base,5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC Name 5-methyl-1H-pyrimidine-2,4-dione
InChI Key RWQNBRDOKXIBIV-UHFFFAOYSA-N
Molecular Formula C5H6N2O2
7

Pyrimethamine, 98%, Thermo Scientific Chemicals

CAS: 58-14-0 Molecular Formula: C12H13ClN4 Molecular Weight (g/mol): 248.71 MDL Number: MFCD00057350 InChI Key: WKSAUQYGYAYLPV-UHFFFAOYSA-N Synonym: pyrimethamine,chloridine,daraprim,chloridin,diaminopyritamin,5-4-chlorophenyl-6-ethylpyrimidine-2,4-diamine,ethylpyrimidine,pirimetamina,chloridyn,malocide PubChem CID: 4993 ChEBI: CHEBI:8673 IUPAC Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine SMILES: CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=C1

PubChem CID 4993
CAS 58-14-0
Molecular Weight (g/mol) 248.71
ChEBI CHEBI:8673
MDL Number MFCD00057350
SMILES CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=C1
Synonym pyrimethamine,chloridine,daraprim,chloridin,diaminopyritamin,5-4-chlorophenyl-6-ethylpyrimidine-2,4-diamine,ethylpyrimidine,pirimetamina,chloridyn,malocide
IUPAC Name 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
InChI Key WKSAUQYGYAYLPV-UHFFFAOYSA-N
Molecular Formula C12H13ClN4
8

Pyrimidine-2-carboxylic acid, 95%

CAS: 31519-62-7 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.10 MDL Number: MFCD00856161 InChI Key: ZFCHNZDUMIOWFV-UHFFFAOYSA-N Synonym: 2-pyrimidinecarboxylic acid,2-carboxypyrimidine,pyrimidine carboxylic acid,pyrimidinecarboxylic acid,2-carboxy-1,3-diazine,2-pyrimidinecarboxylic acid 6ci,8ci,9ci,2-pyrimidinecarboxylicacid,2-carboxy pyrimidine,pubchem9603,pyrimidine-carboxylic acid PubChem CID: 12626245 IUPAC Name: pyrimidine-2-carboxylic acid SMILES: OC(=O)C1=NC=CC=N1

PubChem CID 12626245
CAS 31519-62-7
Molecular Weight (g/mol) 124.10
MDL Number MFCD00856161
SMILES OC(=O)C1=NC=CC=N1
Synonym 2-pyrimidinecarboxylic acid,2-carboxypyrimidine,pyrimidine carboxylic acid,pyrimidinecarboxylic acid,2-carboxy-1,3-diazine,2-pyrimidinecarboxylic acid 6ci,8ci,9ci,2-pyrimidinecarboxylicacid,2-carboxy pyrimidine,pubchem9603,pyrimidine-carboxylic acid
IUPAC Name pyrimidine-2-carboxylic acid
InChI Key ZFCHNZDUMIOWFV-UHFFFAOYSA-N
Molecular Formula C5H4N2O2
9

2-chloropyrimidine-5-carboxylic acid, 97%

CAS: 374068-01-6 Molecular Formula: C5H3ClN2O2 Molecular Weight (g/mol): 158.54 MDL Number: MFCD06739036 InChI Key: DUCXUPKLVVSJKA-UHFFFAOYSA-N Synonym: 2-chloro-pyrimidine-5-carboxylic acid,2-chloro-5-carboxypyrimidine,5-carboxy-2-chloropyrimidine,5-pyrimidinecarboxylicacid, 2-chloro,2-chloro-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylic acid, 2-chloro,2-chloropyrimidine-5-carboxylicacid,acmc-1aig3,2-chloropyrimidine 5-carboxylic acid,2-chloro-5-pyrimidine carboxylic acid PubChem CID: 11094906 IUPAC Name: 2-chloropyrimidine-5-carboxylic acid SMILES: OC(=O)C1=CN=C(Cl)N=C1

PubChem CID 11094906
CAS 374068-01-6
Molecular Weight (g/mol) 158.54
MDL Number MFCD06739036
SMILES OC(=O)C1=CN=C(Cl)N=C1
Synonym 2-chloro-pyrimidine-5-carboxylic acid,2-chloro-5-carboxypyrimidine,5-carboxy-2-chloropyrimidine,5-pyrimidinecarboxylicacid, 2-chloro,2-chloro-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylic acid, 2-chloro,2-chloropyrimidine-5-carboxylicacid,acmc-1aig3,2-chloropyrimidine 5-carboxylic acid,2-chloro-5-pyrimidine carboxylic acid
IUPAC Name 2-chloropyrimidine-5-carboxylic acid
InChI Key DUCXUPKLVVSJKA-UHFFFAOYSA-N
Molecular Formula C5H3ClN2O2
10

Isocytosine, 99%

CAS: 108-53-2 Molecular Formula: C4H5N3O Molecular Weight (g/mol): 111.10 MDL Number: MFCD00057557 MFCD00023256 InChI Key: XQCZBXHVTFVIFE-UHFFFAOYSA-N Synonym: isocytosine,2-amino-4-hydroxypyrimidine,2-aminopyrimidin-4-ol,2-aminopyrimidin-4 1h-one,2-amino-4-pyrimdinol,2-amino-4-pyrimidone,2-amino-4-oxypyrimidine,2-aminouracil,4-pyrimidinol, 2-amino,4 1h-pyrimidinone, 2-amino PubChem CID: 66950 ChEBI: CHEBI:55502 SMILES: NC1=NC=CC(=O)N1

PubChem CID 66950
CAS 108-53-2
Molecular Weight (g/mol) 111.10
ChEBI CHEBI:55502
MDL Number MFCD00057557 MFCD00023256
SMILES NC1=NC=CC(=O)N1
Synonym isocytosine,2-amino-4-hydroxypyrimidine,2-aminopyrimidin-4-ol,2-aminopyrimidin-4 1h-one,2-amino-4-pyrimdinol,2-amino-4-pyrimidone,2-amino-4-oxypyrimidine,2-aminouracil,4-pyrimidinol, 2-amino,4 1h-pyrimidinone, 2-amino
InChI Key XQCZBXHVTFVIFE-UHFFFAOYSA-N
Molecular Formula C4H5N3O
11

Guanosine, 99%

CAS: 118-00-3 Molecular Formula: C10H13N5O5 Molecular Weight (g/mol): 283.24 MDL Number: MFCD00010182 InChI Key: NYHBQMYGNKIUIF-UUOKFMHZSA-N Synonym: guanosine,guanine riboside,vernine,guanozin,guanosin,inosine, 2-amino,usaf cb-11,vernine van,l-guanosine,9-beta-d-ribofuranosylguanine PubChem CID: 6802 ChEBI: CHEBI:16750 SMILES: NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1

PubChem CID 6802
CAS 118-00-3
Molecular Weight (g/mol) 283.24
ChEBI CHEBI:16750
MDL Number MFCD00010182
SMILES NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1
Synonym guanosine,guanine riboside,vernine,guanozin,guanosin,inosine, 2-amino,usaf cb-11,vernine van,l-guanosine,9-beta-d-ribofuranosylguanine
InChI Key NYHBQMYGNKIUIF-UUOKFMHZSA-N
Molecular Formula C10H13N5O5
12

5-Bromopyrimidine, 98%

CAS: 4595-59-9 MDL Number: MFCD00006117 InChI Key: GYCPLYCTMDTEPU-UHFFFAOYSA-N Synonym: pyrimidine, 5-bromo,5-bromo pyrimidine,5-bromo-1,3-diazine,5-bromo-pyrimidine,5-brpy compound,5-brompyrimidin,5-brornopyrimidine,zlchem 349,pubchem6902,11-cis-retinyl-palmitate PubChem CID: 78344 IUPAC Name: 5-bromopyrimidine SMILES: C1=C(C=NC=N1)Br

PubChem CID 78344
CAS 4595-59-9
MDL Number MFCD00006117
SMILES C1=C(C=NC=N1)Br
Synonym pyrimidine, 5-bromo,5-bromo pyrimidine,5-bromo-1,3-diazine,5-bromo-pyrimidine,5-brpy compound,5-brompyrimidin,5-brornopyrimidine,zlchem 349,pubchem6902,11-cis-retinyl-palmitate
IUPAC Name 5-bromopyrimidine
InChI Key GYCPLYCTMDTEPU-UHFFFAOYSA-N
13

4-Pyrimidin-5-ylbenzoic acid, ≥97%, Thermo Scientific™

CAS: 216959-91-0 Molecular Formula: C11H8N2O2 Molecular Weight (g/mol): 200.197 MDL Number: MFCD05864811 InChI Key: CCBKADQVSXLSDN-UHFFFAOYSA-N Synonym: 4-pyrimidin-5-yl benzoic acid,4-pyrimidin-5-yl-benzoic acid,4-5-pyrimidinyl benzoic acid,benzoic acid, 4-5-pyrimidinyl PubChem CID: 4187247 IUPAC Name: 4-pyrimidin-5-ylbenzoic acid SMILES: C1=CC(=CC=C1C2=CN=CN=C2)C(=O)O

PubChem CID 4187247
CAS 216959-91-0
Molecular Weight (g/mol) 200.197
MDL Number MFCD05864811
SMILES C1=CC(=CC=C1C2=CN=CN=C2)C(=O)O
Synonym 4-pyrimidin-5-yl benzoic acid,4-pyrimidin-5-yl-benzoic acid,4-5-pyrimidinyl benzoic acid,benzoic acid, 4-5-pyrimidinyl
IUPAC Name 4-pyrimidin-5-ylbenzoic acid
InChI Key CCBKADQVSXLSDN-UHFFFAOYSA-N
Molecular Formula C11H8N2O2
14

Thermo Scientific Chemicals 5-Iodouracil, 99%

CAS: 696-07-1 Molecular Formula: C4H3IN2O2 Molecular Weight (g/mol): 237.98 MDL Number: MFCD00006020 InChI Key: KSNXJLQDQOIRIP-UHFFFAOYSA-N Synonym: 5-iodouracil,5-iodopyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-iodo,uracil, 5-iodo,5-iodopyrimidine-2,4-diol,2,4-dihydroxy-5-iodopyrimidine,5-iodo uracil,unii-h59brk500m,chembl1173,5-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 69672 ChEBI: CHEBI:43636 IUPAC Name: 5-iodo-1H-pyrimidine-2,4-dione SMILES: IC1=CNC(=O)NC1=O

PubChem CID 69672
CAS 696-07-1
Molecular Weight (g/mol) 237.98
ChEBI CHEBI:43636
MDL Number MFCD00006020
SMILES IC1=CNC(=O)NC1=O
Synonym 5-iodouracil,5-iodopyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-iodo,uracil, 5-iodo,5-iodopyrimidine-2,4-diol,2,4-dihydroxy-5-iodopyrimidine,5-iodo uracil,unii-h59brk500m,chembl1173,5-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC Name 5-iodo-1H-pyrimidine-2,4-dione
InChI Key KSNXJLQDQOIRIP-UHFFFAOYSA-N
Molecular Formula C4H3IN2O2
15

2-Methylsulfanylpyrimidine-4-carboxylic acid, 97%

CAS: 1126-44-9 Molecular Formula: C6H6N2O2S Molecular Weight (g/mol): 170.19 MDL Number: MFCD09834808 InChI Key: IAGNLKODEFUQDV-UHFFFAOYSA-N Synonym: 2-methylthio pyrimidine-4-carboxylic acid,2-methylsulfanyl-pyrimidine-4-carboxylic acid,2-methylthiopyrimidine-4-carboxylic acid,2-thiomethylpyrimidine-4-carboxylic acid,2-methylsulfanyl pyrimidine-4-carboxylic acid,2-methylsulfanyl-pyrimidine-4-carboxylicacid,2-methylthio-4-pyrimidinecarboxylic acid,2-thioformylpyrimidine-4-carboxylic acid,2-methylthio-4-pyrimidinecarboxylicacid,2-mthylsulfanyl-pyrimidine-4-carboxylic acid PubChem CID: 295775 IUPAC Name: 2-methylsulfanylpyrimidine-4-carboxylic acid SMILES: CSC1=NC=CC(=N1)C(O)=O

PubChem CID 295775
CAS 1126-44-9
Molecular Weight (g/mol) 170.19
MDL Number MFCD09834808
SMILES CSC1=NC=CC(=N1)C(O)=O
Synonym 2-methylthio pyrimidine-4-carboxylic acid,2-methylsulfanyl-pyrimidine-4-carboxylic acid,2-methylthiopyrimidine-4-carboxylic acid,2-thiomethylpyrimidine-4-carboxylic acid,2-methylsulfanyl pyrimidine-4-carboxylic acid,2-methylsulfanyl-pyrimidine-4-carboxylicacid,2-methylthio-4-pyrimidinecarboxylic acid,2-thioformylpyrimidine-4-carboxylic acid,2-methylthio-4-pyrimidinecarboxylicacid,2-mthylsulfanyl-pyrimidine-4-carboxylic acid
IUPAC Name 2-methylsulfanylpyrimidine-4-carboxylic acid
InChI Key IAGNLKODEFUQDV-UHFFFAOYSA-N
Molecular Formula C6H6N2O2S