4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid

C11H9N3O2S — CID 79554237

IUPAC4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid
SMILESCc1cc(Sc2ccnc(C(=O)O)c2)ncn1
InChIInChI=1S/C11H9N3O2S/c1-7-4-10(14-6-13-7)17-8-2-3-12-9(5-8)11(15)16/h2-6H,1H3,(H,15,16)
InChIKeyOLVNICAIUGOAFB-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.03
Rot. Bonds3

About 4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid

4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid (PubChem CID 79554237) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid
PubChem CID79554237
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid
SMILESCc1cc(Sc2ccnc(C(=O)O)c2)ncn1
InChIInChI=1S/C11H9N3O2S/c1-7-4-10(14-6-13-7)17-8-2-3-12-9(5-8)11(15)16/h2-6H,1H3,(H,15,16)
InChIKeyOLVNICAIUGOAFB-UHFFFAOYSA-N
XLogP2.03
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methyl-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 79554477
2-fluoro-5-(6-methylpyrimidin-4-yl)sulfanylbenzoic acid
CID 113371807
4-(5-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid
CID 61382658
4-[(6-oxo-1H-pyrimidin-4-yl)sulfanyl]pyridine-2-carboxylic acid
CID 114574132
4-pyridazin-3-ylsulfanylpyridine-2-carboxylic acid
CID 79554069
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
CID 106921174
4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid
CID 43326175
4-(4-tert-butylphenyl)sulfanylpyridine-2-carboxylic acid
CID 43330711
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
CID 62253442
4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboxylic acid
CID 79554396
4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid
CID 43143103
4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 79554315

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid (CID 79554237) is 4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid is Cc1cc(Sc2ccnc(C(=O)O)c2)ncn1.
What is the InChIKey of 4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid?
The InChIKey is OLVNICAIUGOAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-7-4-10(14-6-13-7)17-8-2-3-12-9(5-8)11(15)16/h2-6H,1H3,(H,15,16).
What are the key properties of 4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid?
4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid has a molecular weight of 247.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 79554237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).