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

C12H11N3O2S — CID 43395315

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

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid (PubChem CID 43395315) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
PubChem CID43395315
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
SMILESCc1cc(C)nc(Sc2ncccc2C(=O)O)n1
InChIInChI=1S/C12H11N3O2S/c1-7-6-8(2)15-12(14-7)18-10-9(11(16)17)4-3-5-13-10/h3-6H,1-2H3,(H,16,17)
InChIKeyFZDOZDAHCCXKNL-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-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid
CID 60732308
3-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid
CID 107063739
2-(3,6-dimethylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 65416667
6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid
CID 62701272
2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid
CID 11644442
2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 24694206
2-(4-cyanopyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 107548795
2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanylbenzoic acid
CID 62303956
2-[(4-methyl-5-nitro-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 79174033
2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid
CID 62482824
2-(4-ethylsulfonylphenyl)sulfanylpyridine-3-carboxylic acid
CID 43453329
2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine-5-carboxylic acid
CID 83183757

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid (CID 43395315) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid is Cc1cc(C)nc(Sc2ncccc2C(=O)O)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
The InChIKey is FZDOZDAHCCXKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-7-6-8(2)15-12(14-7)18-10-9(11(16)17)4-3-5-13-10/h3-6H,1-2H3,(H,16,17).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
2-(4,6-dimethylpyrimidin-2-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-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 43395315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).