5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C13H19N3O2 — CID 112569358

IUPAC5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCCC2)nc(O)c1C1CCCC1
InChIInChI=1S/C13H19N3O2/c17-11-10(9-5-1-2-6-9)12(18)15-13(14-11)16-7-3-4-8-16/h9H,1-8H2,(H2,14,15,17,18)
InChIKeyJBYQBRNMMNSPLT-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.73
Rot. Bonds2

About 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 112569358) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID112569358
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCCC2)nc(O)c1C1CCCC1
InChIInChI=1S/C13H19N3O2/c17-11-10(9-5-1-2-6-9)12(18)15-13(14-11)16-7-3-4-8-16/h9H,1-8H2,(H2,14,15,17,18)
InChIKeyJBYQBRNMMNSPLT-UHFFFAOYSA-N
XLogP1.73
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde
CID 135636164
5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 112569360
5-cyclohexyl-4-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
CID 1073962
5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one
CID 112569367
5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 112569328
4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136729575
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 115926289
5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 115926378
5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 103344653
5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one
CID 112569377
5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 115926352
4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135473139

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 112569358) is 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is O=c1[nH]c(N2CCCC2)nc(O)c1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is JBYQBRNMMNSPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-11-10(9-5-1-2-6-9)12(18)15-13(14-11)16-7-3-4-8-16/h9H,1-8H2,(H2,14,15,17,18).
What are the key properties of 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 112569358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).