4-cyclopentyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one

C13H15N3O2S — CID 141132980

IUPAC4-cyclopentyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)c1nc(C2CCCC2)c2ccc(=O)[nH]c2n1
InChIInChI=1S/C13H15N3O2S/c1-19(18)13-15-11(8-4-2-3-5-8)9-6-7-10(17)14-12(9)16-13/h6-8H,2-5H2,1H3,(H,14,15,16,17)
InChIKeyNLMBVCSJQYUDDR-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.71
Rot. Bonds2

About 4-cyclopentyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one

4-cyclopentyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 141132980) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-cyclopentyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-cyclopentyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID141132980
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-cyclopentyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)c1nc(C2CCCC2)c2ccc(=O)[nH]c2n1
InChIInChI=1S/C13H15N3O2S/c1-19(18)13-15-11(8-4-2-3-5-8)9-6-7-10(17)14-12(9)16-13/h6-8H,2-5H2,1H3,(H,14,15,16,17)
InChIKeyNLMBVCSJQYUDDR-UHFFFAOYSA-N
XLogP1.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-cyclopentyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 141132980) is 4-cyclopentyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-cyclopentyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-cyclopentyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one is CS(=O)c1nc(C2CCCC2)c2ccc(=O)[nH]c2n1.
What is the InChIKey of 4-cyclopentyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NLMBVCSJQYUDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-19(18)13-15-11(8-4-2-3-5-8)9-6-7-10(17)14-12(9)16-13/h6-8H,2-5H2,1H3,(H,14,15,16,17).
What are the key properties of 4-cyclopentyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one?
4-cyclopentyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 277.35 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 141132980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).