2-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one

C9H12N2O2 — CID 63611403

IUPAC2-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(C2CCCC2)[nH]1
InChIInChI=1S/C9H12N2O2/c12-7-5-8(13)11-9(10-7)6-3-1-2-4-6/h5-6H,1-4H2,(H2,10,11,12,13)
InChIKeyAVMAHUGLTONSSZ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.13
Rot. Bonds1

About 2-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one

2-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63611403) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63611403
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(C2CCCC2)[nH]1
InChIInChI=1S/C9H12N2O2/c12-7-5-8(13)11-9(10-7)6-3-1-2-4-6/h5-6H,1-4H2,(H2,10,11,12,13)
InChIKeyAVMAHUGLTONSSZ-UHFFFAOYSA-N
XLogP1.13
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-4-hydroxy-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one (CID 63611403) is 2-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(C2CCCC2)[nH]1.
What is the InChIKey of 2-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is AVMAHUGLTONSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-7-5-8(13)11-9(10-7)6-3-1-2-4-6/h5-6H,1-4H2,(H2,10,11,12,13).
What are the key properties of 2-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
2-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 180.21 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63611403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).