8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C14H17N3OS — CID 11265824

IUPAC8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2c(C)cc(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C14H17N3OS/c1-9-7-12(18)17(10-5-3-4-6-10)13-11(9)8-15-14(16-13)19-2/h7-8,10H,3-6H2,1-2H3
InChIKeyKKDBBMQOMJUVIZ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.94
Rot. Bonds2

About 8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 11265824) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID11265824
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2c(C)cc(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C14H17N3OS/c1-9-7-12(18)17(10-5-3-4-6-10)13-11(9)8-15-14(16-13)19-2/h7-8,10H,3-6H2,1-2H3
InChIKeyKKDBBMQOMJUVIZ-UHFFFAOYSA-N
XLogP2.94
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-cyclopentyl-5-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 8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 11265824) is 8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CSc1ncc2c(C)cc(=O)n(C3CCCC3)c2n1.
What is the InChIKey of 8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KKDBBMQOMJUVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-7-12(18)17(10-5-3-4-6-10)13-11(9)8-15-14(16-13)19-2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 275.38 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 11265824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).