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

C14H17N3O2S — CID 11483180

IUPAC8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(S(C)=O)ncc12
InChIInChI=1S/C14H17N3O2S/c1-9-7-12(18)17(10-5-3-4-6-10)13-11(9)8-15-14(16-13)20(2)19/h7-8,10H,3-6H2,1-2H3
InChIKeyQEIBXNZUMMUHNE-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.95
Rot. Bonds2

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

8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 11483180) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
PubChem CID11483180
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(S(C)=O)ncc12
InChIInChI=1S/C14H17N3O2S/c1-9-7-12(18)17(10-5-3-4-6-10)13-11(9)8-15-14(16-13)20(2)19/h7-8,10H,3-6H2,1-2H3
InChIKeyQEIBXNZUMMUHNE-UHFFFAOYSA-N
XLogP1.95
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one (CID 11483180) is 8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one is Cc1cc(=O)n(C2CCCC2)c2nc(S(C)=O)ncc12.
What is the InChIKey of 8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QEIBXNZUMMUHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-7-12(18)17(10-5-3-4-6-10)13-11(9)8-15-14(16-13)20(2)19/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 291.38 g/mol, XLogP of 1.95, 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-methylsulfinylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 11483180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).