8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one

C14H16FN3O2S — CID 11483682

IUPAC8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(F)c(=O)n(C2CCCC2)c2nc(S(C)=O)ncc12
InChIInChI=1S/C14H16FN3O2S/c1-8-10-7-16-14(21(2)20)17-12(10)18(13(19)11(8)15)9-5-3-4-6-9/h7,9H,3-6H2,1-2H3
InChIKeyKYHGRXVOWZKDQV-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.09
Rot. Bonds2

About 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 11483682) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
PubChem CID11483682
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(F)c(=O)n(C2CCCC2)c2nc(S(C)=O)ncc12
InChIInChI=1S/C14H16FN3O2S/c1-8-10-7-16-14(21(2)20)17-12(10)18(13(19)11(8)15)9-5-3-4-6-9/h7,9H,3-6H2,1-2H3
InChIKeyKYHGRXVOWZKDQV-UHFFFAOYSA-N
XLogP2.09
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one (CID 11483682) is 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one is Cc1c(F)c(=O)n(C2CCCC2)c2nc(S(C)=O)ncc12.
What is the InChIKey of 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KYHGRXVOWZKDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-8-10-7-16-14(21(2)20)17-12(10)18(13(19)11(8)15)9-5-3-4-6-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 309.37 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 11483682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).