2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid

C12H11N3O2S — CID 60732308

IUPAC2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid
SMILESCc1cc(Sc2ncccc2C(=O)O)nc(C)n1
InChIInChI=1S/C12H11N3O2S/c1-7-6-10(15-8(2)14-7)18-11-9(12(16)17)4-3-5-13-11/h3-6H,1-2H3,(H,16,17)
InChIKeyDYXMOIIAGHUAIB-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.34
Rot. Bonds3

About 2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid

2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid (PubChem CID 60732308) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid
PubChem CID60732308
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid
SMILESCc1cc(Sc2ncccc2C(=O)O)nc(C)n1
InChIInChI=1S/C12H11N3O2S/c1-7-6-10(15-8(2)14-7)18-11-9(12(16)17)4-3-5-13-11/h3-6H,1-2H3,(H,16,17)
InChIKeyDYXMOIIAGHUAIB-UHFFFAOYSA-N
XLogP2.34
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 43395315
2-(3,6-dimethylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 65416667
2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid
CID 62482824
2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid
CID 11644442
2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 24694206
2-[(4-methyl-5-nitro-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 79174033
6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid
CID 62702619
2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 64588756
6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid
CID 62701272
2-(trisulfanyl)pyridine-3-carboxylic acid
CID 129081855
4,6-dimethyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid
CID 60677502
2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid
CID 114570693

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid (CID 60732308) is 2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid is Cc1cc(Sc2ncccc2C(=O)O)nc(C)n1.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid?
The InChIKey is DYXMOIIAGHUAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-7-6-10(15-8(2)14-7)18-11-9(12(16)17)4-3-5-13-11/h3-6H,1-2H3,(H,16,17).
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid?
2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid has a molecular weight of 261.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 60732308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).