6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C9H8ClN3OS — CID 135381338

IUPAC6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2cc(Cl)c(=O)n(C)c2n1
InChIInChI=1S/C9H8ClN3OS/c1-13-7-5(3-6(10)8(13)14)4-11-9(12-7)15-2/h3-4H,1-2H3
InChIKeyQWYRMGYQWFJVTO-UHFFFAOYSA-N
MW241.70 g/mol
LogP1.70
Rot. Bonds1

About 6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 135381338) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is 6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID135381338
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC Name6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2cc(Cl)c(=O)n(C)c2n1
InChIInChI=1S/C9H8ClN3OS/c1-13-7-5(3-6(10)8(13)14)4-11-9(12-7)15-2/h3-4H,1-2H3
InChIKeyQWYRMGYQWFJVTO-UHFFFAOYSA-N
XLogP1.70
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 135381338) is 6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CSc1ncc2cc(Cl)c(=O)n(C)c2n1.
What is the InChIKey of 6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QWYRMGYQWFJVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c1-13-7-5(3-6(10)8(13)14)4-11-9(12-7)15-2/h3-4H,1-2H3.
What are the key properties of 6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 241.70 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 135381338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).