8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one

C13H15N3O2S — CID 10826395

IUPAC8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)c1ncc2ccc(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C13H15N3O2S/c1-19(18)13-14-8-9-6-7-11(17)16(12(9)15-13)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyUDTZHILTPAKHBR-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.64
Rot. Bonds2

About 8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 10826395) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
PubChem CID10826395
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)c1ncc2ccc(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C13H15N3O2S/c1-19(18)13-14-8-9-6-7-11(17)16(12(9)15-13)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyUDTZHILTPAKHBR-UHFFFAOYSA-N
XLogP1.64
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one (CID 10826395) is 8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one is CS(=O)c1ncc2ccc(=O)n(C3CCCC3)c2n1.
What is the InChIKey of 8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UDTZHILTPAKHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-19(18)13-14-8-9-6-7-11(17)16(12(9)15-13)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3.
What are the key properties of 8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 277.35 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10826395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).