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

C20H22N4O2 — CID 59258873

IUPAC8-cyclopentyl-6-(3-hydroxyphenyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1nc(C)c2cc(-c3cccc(O)c3)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C20H22N4O2/c1-12-16-11-17(13-6-5-9-15(25)10-13)19(26)24(14-7-3-4-8-14)18(16)23-20(21-2)22-12/h5-6,9-11,14,25H,3-4,7-8H2,1-2H3,(H,21,22,23)
InChIKeyIUSVUKQHUCJAFS-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.63
Rot. Bonds3

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

8-cyclopentyl-6-(3-hydroxyphenyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258873) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 8-cyclopentyl-6-(3-hydroxyphenyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-(3-hydroxyphenyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59258873
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name8-cyclopentyl-6-(3-hydroxyphenyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1nc(C)c2cc(-c3cccc(O)c3)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C20H22N4O2/c1-12-16-11-17(13-6-5-9-15(25)10-13)19(26)24(14-7-3-4-8-14)18(16)23-20(21-2)22-12/h5-6,9-11,14,25H,3-4,7-8H2,1-2H3,(H,21,22,23)
InChIKeyIUSVUKQHUCJAFS-UHFFFAOYSA-N
XLogP3.63
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.63
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-hydroxyphenyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-(3-hydroxyphenyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (CID 59258873) is 8-cyclopentyl-6-(3-hydroxyphenyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-(3-hydroxyphenyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-(3-hydroxyphenyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is CNc1nc(C)c2cc(-c3cccc(O)c3)c(=O)n(C3CCCC3)c2n1.
What is the InChIKey of 8-cyclopentyl-6-(3-hydroxyphenyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IUSVUKQHUCJAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-16-11-17(13-6-5-9-15(25)10-13)19(26)24(14-7-3-4-8-14)18(16)23-20(21-2)22-12/h5-6,9-11,14,25H,3-4,7-8H2,1-2H3,(H,21,22,23).
What are the key properties of 8-cyclopentyl-6-(3-hydroxyphenyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-(3-hydroxyphenyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 350.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-(3-hydroxyphenyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).