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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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-]

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Specifications

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

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

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Specifications

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

2-Thien-2-ylpyrimidine-5-carboxylic acid, 97%, Thermo Scientific™

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3-Pyrimidin-5-ylbenzaldehyde, 97%, Thermo Scientific™

CAS: 640769-70-6 Molecular Formula: C11H8N2O Molecular Weight (g/mol): 184.198 MDL Number: MFCD05864833 InChI Key: RAHJVJBPRWJPHE-UHFFFAOYSA-N Synonym: 3-pyrimidin-5-yl benzaldehyde,3-pyrimidin-5-yl-benzaldehyde,3-5-pyrimidinyl benzaldehyde,benzaldehyde, 3-5-pyrimidinyl,acmc-1b2vh,benzaldehyde,3-5-pyrimidinyl PubChem CID: 4187249 IUPAC Name: 3-pyrimidin-5-ylbenzaldehyde SMILES: C1=CC(=CC(=C1)C=O)C2=CN=CN=C2

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Specifications

PubChem CID	4187249
CAS	640769-70-6
Molecular Weight (g/mol)	184.198
MDL Number	MFCD05864833
SMILES	C1=CC(=CC(=C1)C=O)C2=CN=CN=C2
Synonym	3-pyrimidin-5-yl benzaldehyde,3-pyrimidin-5-yl-benzaldehyde,3-5-pyrimidinyl benzaldehyde,benzaldehyde, 3-5-pyrimidinyl,acmc-1b2vh,benzaldehyde,3-5-pyrimidinyl
IUPAC Name	3-pyrimidin-5-ylbenzaldehyde
InChI Key	RAHJVJBPRWJPHE-UHFFFAOYSA-N
Molecular Formula	C11H8N2O

2-Amino-4,6-dichloropyrimidine, 95%, tech.

CAS: 56-05-3 Molecular Formula: C₄H₃Cl₂N₃ Molecular Weight (g/mol): 163.99 MDL Number: MFCD00006090 InChI Key: JPZOAVGMSDSWSW-UHFFFAOYSA-N Synonym: 2-amino-4,6-dichloropyrimidine,4,6-dichloro-2-pyrimidinamine,2-pyrimidinamine, 4,6-dichloro,4,6-dichloropyrimidin-2-ylamine,ccris 7460,4,6-dichloro-pyrimidin-2-ylamine,pyrimidine, 2-amino-4,6-dichloro,2-amino-4,6-dichloro pyrimidine,4,6-dichloropyrimidine-2-ylamine,zlchem 351 PubChem CID: 65522 IUPAC Name: 4,6-dichloropyrimidin-2-amine SMILES: C1=C(N=C(N=C1Cl)N)Cl

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Specifications

PubChem CID	65522
CAS	56-05-3
Molecular Weight (g/mol)	163.99
MDL Number	MFCD00006090
SMILES	C1=C(N=C(N=C1Cl)N)Cl
Synonym	2-amino-4,6-dichloropyrimidine,4,6-dichloro-2-pyrimidinamine,2-pyrimidinamine, 4,6-dichloro,4,6-dichloropyrimidin-2-ylamine,ccris 7460,4,6-dichloro-pyrimidin-2-ylamine,pyrimidine, 2-amino-4,6-dichloro,2-amino-4,6-dichloro pyrimidine,4,6-dichloropyrimidine-2-ylamine,zlchem 351
IUPAC Name	4,6-dichloropyrimidin-2-amine
InChI Key	JPZOAVGMSDSWSW-UHFFFAOYSA-N
Molecular Formula	C₄H₃Cl₂N₃

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

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Specifications

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

6-chloropyrimidine-2,4-diamine, 97%, Thermo Scientific™

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2-Pyrrolidin-1-ylpyrimidine-5-carboxylic acid, ≥97%, Thermo Scientific™

CAS: 253315-06-9 Molecular Formula: C9H11N3O2 Molecular Weight (g/mol): 193.21 MDL Number: MFCD09054869 InChI Key: BARCKZNRVNLERF-UHFFFAOYSA-N Synonym: 2-1-pyrrolidinyl-5-pyrimidinecarboxylic acid,2-pyrrolidin-1-yl pyrimidine-5-carboxylic acid,2-pyrrolidinylpyrimidine-5-carboxylic acid,2-pyrrolidin-1-yl-pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid, 2-1-pyrrolidinyl PubChem CID: 6622038 IUPAC Name: 2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid SMILES: OC(=O)C1=CN=C(N=C1)N1CCCC1

Pricing and Availability
Specifications

PubChem CID	6622038
CAS	253315-06-9
Molecular Weight (g/mol)	193.21
MDL Number	MFCD09054869
SMILES	OC(=O)C1=CN=C(N=C1)N1CCCC1
Synonym	2-1-pyrrolidinyl-5-pyrimidinecarboxylic acid,2-pyrrolidin-1-yl pyrimidine-5-carboxylic acid,2-pyrrolidinylpyrimidine-5-carboxylic acid,2-pyrrolidin-1-yl-pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid, 2-1-pyrrolidinyl
IUPAC Name	2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
InChI Key	BARCKZNRVNLERF-UHFFFAOYSA-N
Molecular Formula	C9H11N3O2

4,6-Dihydroxy-2-mercaptopyrimidine, 98%

CAS: 504-17-6 Molecular Formula: C4H4N2O2S Molecular Weight (g/mol): 144.15 MDL Number: MFCD00006674 InChI Key: RVBUGGBMJDPOST-UHFFFAOYSA-N Synonym: 2-thiobarbituric acid,thiobarbituric acid,bathyran,austranal,4,6-dihydroxy-2-thiopyrimidine,2-thioxodihydropyrimidine-4,6 1h,5h-dione,2-thio-4,6-dioxypyrimidine,usaf ek-660,4,6 1h,5h-pyrimidinedione, dihydro-2-thioxo,2-mercaptobarbituric acid PubChem CID: 2723628 ChEBI: CHEBI:33202 IUPAC Name: 2-sulfanylidene-1,3-diazinane-4,6-dione SMILES: O=C1CC(=O)NC(=S)N1

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Specifications

PubChem CID	2723628
CAS	504-17-6
Molecular Weight (g/mol)	144.15
ChEBI	CHEBI:33202
MDL Number	MFCD00006674
SMILES	O=C1CC(=O)NC(=S)N1
Synonym	2-thiobarbituric acid,thiobarbituric acid,bathyran,austranal,4,6-dihydroxy-2-thiopyrimidine,2-thioxodihydropyrimidine-4,6 1h,5h-dione,2-thio-4,6-dioxypyrimidine,usaf ek-660,4,6 1h,5h-pyrimidinedione, dihydro-2-thioxo,2-mercaptobarbituric acid
IUPAC Name	2-sulfanylidene-1,3-diazinane-4,6-dione
InChI Key	RVBUGGBMJDPOST-UHFFFAOYSA-N
Molecular Formula	C4H4N2O2S

N4-Benzoylcytosine, 98%

CAS: 26661-13-2 Molecular Formula: C11H9N3O2 Molecular Weight (g/mol): 215.21 MDL Number: MFCD00239434 InChI Key: XBDUZBHKKUFFRH-UHFFFAOYSA-N Synonym: n4-benzoylcytosine,n-2-oxo-1,2-dihydropyrimidin-4-yl benzamide,n-benzoylcytosine,n-4-benzoyl cytosine,benzamide, n-1,2-dihydro-2-oxo-4-pyrimidinyl,n-2-oxo-1h-pyrimidin-6-yl benzamide,benzamide, n-2,3-dihydro-2-oxo-4-pyrimidinyl,n-2-oxohydropyrimidin-4-yl benzamide,n-2-oxo-1h-pyrimidin-4-yl benzamide,n-benzoyl cytosine PubChem CID: 309343 IUPAC Name: N-(2-oxo-1H-pyrimidin-6-yl)benzamide SMILES: O=C(NC1=CC=NC(=O)N1)C1=CC=CC=C1

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Specifications

PubChem CID	309343
CAS	26661-13-2
Molecular Weight (g/mol)	215.21
MDL Number	MFCD00239434
SMILES	O=C(NC1=CC=NC(=O)N1)C1=CC=CC=C1
Synonym	n4-benzoylcytosine,n-2-oxo-1,2-dihydropyrimidin-4-yl benzamide,n-benzoylcytosine,n-4-benzoyl cytosine,benzamide, n-1,2-dihydro-2-oxo-4-pyrimidinyl,n-2-oxo-1h-pyrimidin-6-yl benzamide,benzamide, n-2,3-dihydro-2-oxo-4-pyrimidinyl,n-2-oxohydropyrimidin-4-yl benzamide,n-2-oxo-1h-pyrimidin-4-yl benzamide,n-benzoyl cytosine
IUPAC Name	N-(2-oxo-1H-pyrimidin-6-yl)benzamide
InChI Key	XBDUZBHKKUFFRH-UHFFFAOYSA-N
Molecular Formula	C11H9N3O2

4,6-Dichloropyrimidine, 97%

CAS: 1193-21-1 Molecular Formula: C4H2Cl2N2 Molecular Weight (g/mol): 148.97 MDL Number: MFCD00006109 InChI Key: XJPZKYIHCLDXST-UHFFFAOYSA-N Synonym: pyrimidine, 4,6-dichloro,4,6-dichloro-pyrimidine,4,6-dichloro pyrimidine,4,6-dichloro-1,3-diazine,4,6-dichlorpyrimidin,dichloropyrmidine,dichloropyrimidine,zlchem 225,pubchem6913,4,6-dichloropyrimdine PubChem CID: 70943 IUPAC Name: 4,6-dichloropyrimidine SMILES: ClC1=CC(Cl)=NC=N1

Pricing and Availability
Specifications

PubChem CID	70943
CAS	1193-21-1
Molecular Weight (g/mol)	148.97
MDL Number	MFCD00006109
SMILES	ClC1=CC(Cl)=NC=N1
Synonym	pyrimidine, 4,6-dichloro,4,6-dichloro-pyrimidine,4,6-dichloro pyrimidine,4,6-dichloro-1,3-diazine,4,6-dichlorpyrimidin,dichloropyrmidine,dichloropyrimidine,zlchem 225,pubchem6913,4,6-dichloropyrimdine
IUPAC Name	4,6-dichloropyrimidine
InChI Key	XJPZKYIHCLDXST-UHFFFAOYSA-N
Molecular Formula	C4H2Cl2N2

4-Chlorothieno[2,3-d]pyrimidine, Tech., Thermo Scientific™

CAS: 14080-59-2 Molecular Formula: C6H3ClN2S Molecular Weight (g/mol): 170.61 MDL Number: MFCD01312373 InChI Key: NZCRUBBNZGVREM-UHFFFAOYSA-N PubChem CID: 736618 IUPAC Name: 4-chlorothieno[2,3-d]pyrimidine SMILES: ClC1=C2C=CSC2=NC=N1

Pricing and Availability
Specifications

PubChem CID	736618
CAS	14080-59-2
Molecular Weight (g/mol)	170.61
MDL Number	MFCD01312373
SMILES	ClC1=C2C=CSC2=NC=N1
IUPAC Name	4-chlorothieno[2,3-d]pyrimidine
InChI Key	NZCRUBBNZGVREM-UHFFFAOYSA-N
Molecular Formula	C6H3ClN2S

PubChem CID	2723628
CAS	504-17-6
Molecular Weight (g/mol)	144.15
ChEBI	CHEBI:33202
MDL Number	MFCD00006674
SMILES	O=C1CC(=O)NC(=S)N1
Synonym	2-thiobarbituric acid,thiobarbituric acid,bathyran,austranal,4,6-dihydroxy-2-thiopyrimidine,2-thioxodihydropyrimidine-4,6 1h,5h-dione,2-thio-4,6-dioxypyrimidine,usaf ek-660,4,6 1h,5h-pyrimidinedione, dihydro-2-thioxo,2-mercaptobarbituric acid
IUPAC Name	2-sulfanylidene-1,3-diazinane-4,6-dione
InChI Key	RVBUGGBMJDPOST-UHFFFAOYSA-N
Molecular Formula	C4H4N2O2S

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

Pricing and Availability
Specifications

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

2-Morpholinopyrimidine-5-carboxylic acid, 95%, Thermo Scientific™

CAS: 253315-05-8 Molecular Formula: C9H11N3O3 Molecular Weight (g/mol): 209.205 MDL Number: MFCD06589849 InChI Key: WMPUFHIOPXMZFI-UHFFFAOYSA-N Synonym: 2-morpholinopyrimidine-5-carboxylic acid,2-morpholin-4-yl-pyrimidine-5-carboxylic acid,2-morpholin-4-yl pyrimidine-5-carboxylic acid,2-4-morpholinyl-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylicacid, 2-4-morpholinyl,5-pyrimidinecarboxylic acid, 2-4-morpholinyl PubChem CID: 3160979 IUPAC Name: 2-morpholin-4-ylpyrimidine-5-carboxylic acid SMILES: C1COCCN1C2=NC=C(C=N2)C(=O)O

Pricing and Availability
Specifications

PubChem CID	3160979
CAS	253315-05-8
Molecular Weight (g/mol)	209.205
MDL Number	MFCD06589849
SMILES	C1COCCN1C2=NC=C(C=N2)C(=O)O
Synonym	2-morpholinopyrimidine-5-carboxylic acid,2-morpholin-4-yl-pyrimidine-5-carboxylic acid,2-morpholin-4-yl pyrimidine-5-carboxylic acid,2-4-morpholinyl-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylicacid, 2-4-morpholinyl,5-pyrimidinecarboxylic acid, 2-4-morpholinyl
IUPAC Name	2-morpholin-4-ylpyrimidine-5-carboxylic acid
InChI Key	WMPUFHIOPXMZFI-UHFFFAOYSA-N
Molecular Formula	C9H11N3O3

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