2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid

C12H11N3O2S — CID 94077060

IUPAC2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid
SMILESCc1cc(SCC(=O)O)nc(-c2cccnc2)n1
InChIInChI=1S/C12H11N3O2S/c1-8-5-10(18-7-11(16)17)15-12(14-8)9-3-2-4-13-6-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyHNMLATNSMZBNGV-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.02
Rot. Bonds4

About 2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid

2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid (PubChem CID 94077060) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid
PubChem CID94077060
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid
SMILESCc1cc(SCC(=O)O)nc(-c2cccnc2)n1
InChIInChI=1S/C12H11N3O2S/c1-8-5-10(18-7-11(16)17)15-12(14-8)9-3-2-4-13-6-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyHNMLATNSMZBNGV-UHFFFAOYSA-N
XLogP2.02
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetic acid
CID 53214856
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768554
2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid
CID 62955994
2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-propylamino]acetic acid
CID 122051516
2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid
CID 122064930
1-(4-chlorophenyl)-2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]sulfanylethanone
CID 95921658
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
(2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 50977879
2-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)sulfanylacetic acid
CID 66285605
2-[6-methyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanylacetic acid
CID 22299989

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid (CID 94077060) is 2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid is Cc1cc(SCC(=O)O)nc(-c2cccnc2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid?
The InChIKey is HNMLATNSMZBNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-8-5-10(18-7-11(16)17)15-12(14-8)9-3-2-4-13-6-9/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid?
2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid has a molecular weight of 261.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid is sourced from PubChem (CID 94077060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).