8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one

C15H19N3O3S — CID 11151391

IUPAC8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
SMILESCOCc1cc2cnc(S(C)=O)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C15H19N3O3S/c1-21-9-11-7-10-8-16-15(22(2)20)17-13(10)18(14(11)19)12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3
InChIKeyPPZRUODWYZKCBL-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.79
Rot. Bonds4

About 8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 11151391) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
PubChem CID11151391
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
SMILESCOCc1cc2cnc(S(C)=O)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C15H19N3O3S/c1-21-9-11-7-10-8-16-15(22(2)20)17-13(10)18(14(11)19)12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3
InChIKeyPPZRUODWYZKCBL-UHFFFAOYSA-N
XLogP1.79
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one (CID 11151391) is 8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one is COCc1cc2cnc(S(C)=O)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PPZRUODWYZKCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-21-9-11-7-10-8-16-15(22(2)20)17-13(10)18(14(11)19)12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3.
What are the key properties of 8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 321.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 11151391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).