6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid

C14H15N3O2S — CID 81238533

IUPAC6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
SMILESCc1cc(Sc2nc(C)c(C)c(C)n2)c(C(=O)O)cn1
InChIInChI=1S/C14H15N3O2S/c1-7-5-12(11(6-15-7)13(18)19)20-14-16-9(3)8(2)10(4)17-14/h5-6H,1-4H3,(H,18,19)
InChIKeyUQSMQOWATWZOSR-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.95
Rot. Bonds3

About 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid

6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid (PubChem CID 81238533) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
PubChem CID81238533
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
SMILESCc1cc(Sc2nc(C)c(C)c(C)n2)c(C(=O)O)cn1
InChIInChI=1S/C14H15N3O2S/c1-7-5-12(11(6-15-7)13(18)19)20-14-16-9(3)8(2)10(4)17-14/h5-6H,1-4H3,(H,18,19)
InChIKeyUQSMQOWATWZOSR-UHFFFAOYSA-N
XLogP2.95
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidine-5-carboxylic acid
CID 83183839
2,6-dimethyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 81036968
6-methyl-4-pyridin-4-ylsulfanylpyridine-3-carboxylic acid
CID 81237651
4-(4-fluorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid
CID 81238999
5-bromo-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 65038907
6-methyl-4-(4-propan-2-ylphenyl)sulfanylpyridine-3-carboxylic acid
CID 81238328
5-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzoic acid
CID 65043411
4-(2,5-dichlorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid
CID 81239656
4-(1,3-benzothiazol-2-ylsulfanyl)-6-methylpyridine-3-carboxylic acid
CID 81239156
4,6-dimethylpyridine-3-carboxylic acid
CID 817290
6-methyl-4-(oxan-4-ylsulfanyl)pyridine-3-carboxylic acid
CID 81237821
3-chloro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzoic acid
CID 65041084

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid (CID 81238533) is 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid is Cc1cc(Sc2nc(C)c(C)c(C)n2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
The InChIKey is UQSMQOWATWZOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-7-5-12(11(6-15-7)13(18)19)20-14-16-9(3)8(2)10(4)17-14/h5-6H,1-4H3,(H,18,19).
What are the key properties of 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 81238533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).