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

C9H9N3OS — CID 10750835

IUPAC8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2ccc(=O)n(C)c2n1
InChIInChI=1S/C9H9N3OS/c1-12-7(13)4-3-6-5-10-9(14-2)11-8(6)12/h3-5H,1-2H3
InChIKeyVEGXMTDGCAFDAG-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.05
Rot. Bonds1

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

8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 10750835) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID10750835
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2ccc(=O)n(C)c2n1
InChIInChI=1S/C9H9N3OS/c1-12-7(13)4-3-6-5-10-9(14-2)11-8(6)12/h3-5H,1-2H3
InChIKeyVEGXMTDGCAFDAG-UHFFFAOYSA-N
XLogP1.05
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 10750835) is 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CSc1ncc2ccc(=O)n(C)c2n1.
What is the InChIKey of 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VEGXMTDGCAFDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-12-7(13)4-3-6-5-10-9(14-2)11-8(6)12/h3-5H,1-2H3.
What are the key properties of 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 207.26 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10750835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).