2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one

C8H7N3OS — CID 45106207

IUPAC2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCSc1ncc2c(=O)[nH]ccc2n1
InChIInChI=1S/C8H7N3OS/c1-13-8-10-4-5-6(11-8)2-3-9-7(5)12/h2-4H,1H3,(H,9,12)
InChIKeyXOFAOHNADNLNSI-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.04
Rot. Bonds1

About 2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one

2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 45106207) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID45106207
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCSc1ncc2c(=O)[nH]ccc2n1
InChIInChI=1S/C8H7N3OS/c1-13-8-10-4-5-6(11-8)2-3-9-7(5)12/h2-4H,1H3,(H,9,12)
InChIKeyXOFAOHNADNLNSI-UHFFFAOYSA-N
XLogP1.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-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 2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one (CID 45106207) is 2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one is CSc1ncc2c(=O)[nH]ccc2n1.
What is the InChIKey of 2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is XOFAOHNADNLNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c1-13-8-10-4-5-6(11-8)2-3-9-7(5)12/h2-4H,1H3,(H,9,12).
What are the key properties of 2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one?
2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 193.23 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 45106207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).