6-methyl-2-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-4-carboxylic acid

C11H10N4O2S — CID 107555192

IUPAC6-methyl-2-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-4-carboxylic acid
SMILESCc1ccnc(Sc2nc(C)cc(C(=O)O)n2)n1
InChIInChI=1S/C11H10N4O2S/c1-6-3-4-12-10(13-6)18-11-14-7(2)5-8(15-11)9(16)17/h3-5H,1-2H3,(H,16,17)
InChIKeyJCNYBTBHOOXXLO-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.73
Rot. Bonds3

About 6-methyl-2-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-4-carboxylic acid

6-methyl-2-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-4-carboxylic acid (PubChem CID 107555192) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 6-methyl-2-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-4-carboxylic acid
PubChem CID107555192
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name6-methyl-2-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-4-carboxylic acid
SMILESCc1ccnc(Sc2nc(C)cc(C(=O)O)n2)n1
InChIInChI=1S/C11H10N4O2S/c1-6-3-4-12-10(13-6)18-11-14-7(2)5-8(15-11)9(16)17/h3-5H,1-2H3,(H,16,17)
InChIKeyJCNYBTBHOOXXLO-UHFFFAOYSA-N
XLogP1.73
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-4-carboxylic acid (CID 107555192) is 6-methyl-2-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-4-carboxylic acid is Cc1ccnc(Sc2nc(C)cc(C(=O)O)n2)n1.
What is the InChIKey of 6-methyl-2-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-4-carboxylic acid?
The InChIKey is JCNYBTBHOOXXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-6-3-4-12-10(13-6)18-11-14-7(2)5-8(15-11)9(16)17/h3-5H,1-2H3,(H,16,17).
What are the key properties of 6-methyl-2-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-4-carboxylic acid?
6-methyl-2-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-4-carboxylic acid has a molecular weight of 262.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107555192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).