8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

C21H24N4O2 — CID 45480167

IUPAC8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1nc(C)c2cc(-c3cccc(CO)c3)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C21H24N4O2/c1-13-17-11-18(15-7-5-6-14(10-15)12-26)20(27)25(16-8-3-4-9-16)19(17)24-21(22-2)23-13/h5-7,10-11,16,26H,3-4,8-9,12H2,1-2H3,(H,22,23,24)
InChIKeyLASGWNJRSNLLFV-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.42
Rot. Bonds4

About 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 45480167) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID45480167
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1nc(C)c2cc(-c3cccc(CO)c3)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C21H24N4O2/c1-13-17-11-18(15-7-5-6-14(10-15)12-26)20(27)25(16-8-3-4-9-16)19(17)24-21(22-2)23-13/h5-7,10-11,16,26H,3-4,8-9,12H2,1-2H3,(H,22,23,24)
InChIKeyLASGWNJRSNLLFV-UHFFFAOYSA-N
XLogP3.42
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (CID 45480167) is 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is CNc1nc(C)c2cc(-c3cccc(CO)c3)c(=O)n(C3CCCC3)c2n1.
What is the InChIKey of 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LASGWNJRSNLLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-17-11-18(15-7-5-6-14(10-15)12-26)20(27)25(16-8-3-4-9-16)19(17)24-21(22-2)23-13/h5-7,10-11,16,26H,3-4,8-9,12H2,1-2H3,(H,22,23,24).
What are the key properties of 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 364.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 45480167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).