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

C15H17N3O2S — CID 81036968

IUPAC2,6-dimethyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
SMILESCc1cc(Sc2nc(C)c(C)c(C)n2)c(C(=O)O)c(C)n1
InChIInChI=1S/C15H17N3O2S/c1-7-6-12(13(14(19)20)11(5)16-7)21-15-17-9(3)8(2)10(4)18-15/h6H,1-5H3,(H,19,20)
InChIKeyTVMMBODMWFDZCW-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.26
Rot. Bonds3

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

2,6-dimethyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid (PubChem CID 81036968) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
PubChem CID81036968
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2,6-dimethyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
SMILESCc1cc(Sc2nc(C)c(C)c(C)n2)c(C(=O)O)c(C)n1
InChIInChI=1S/C15H17N3O2S/c1-7-6-12(13(14(19)20)11(5)16-7)21-15-17-9(3)8(2)10(4)18-15/h6H,1-5H3,(H,19,20)
InChIKeyTVMMBODMWFDZCW-UHFFFAOYSA-N
XLogP3.26
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethylsulfanyl-2,6-dimethylpyridine-3-carboxylic acid
CID 81053869
6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 81238533
4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid
CID 81053322
4-butylsulfanyl-2,6-dimethylpyridine-3-carboxylic acid
CID 81053792
4-(cyclopentylmethylsulfanyl)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053172
5-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzoic acid
CID 65043411
3-chloro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzoic acid
CID 65041084
4-[(4-chlorophenyl)methylsulfanyl]-2,6-dimethylpyridine-3-carboxylic acid
CID 114791975
4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidine-5-carboxylic acid
CID 83183839
4-(furan-2-ylmethylsulfanyl)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053250
5-bromo-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 65038907
4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81053855

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid (CID 81036968) is 2,6-dimethyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid is Cc1cc(Sc2nc(C)c(C)c(C)n2)c(C(=O)O)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
The InChIKey is TVMMBODMWFDZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-7-6-12(13(14(19)20)11(5)16-7)21-15-17-9(3)8(2)10(4)18-15/h6H,1-5H3,(H,19,20).
What are the key properties of 2,6-dimethyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
2,6-dimethyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid has a molecular weight of 303.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 81036968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).