2-(3-ethylcyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C14H22N2O2 — CID 65408300

IUPAC2-(3-ethylcyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CCC(CC)C2)[nH]c1=O
InChIInChI=1S/C14H22N2O2/c1-3-5-11-13(17)15-12(16-14(11)18)10-7-6-9(4-2)8-10/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyFKOWSQLDSWQASI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.72
Rot. Bonds4

About 2-(3-ethylcyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-(3-ethylcyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 65408300) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(3-ethylcyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-ethylcyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID65408300
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(3-ethylcyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CCC(CC)C2)[nH]c1=O
InChIInChI=1S/C14H22N2O2/c1-3-5-11-13(17)15-12(16-14(11)18)10-7-6-9(4-2)8-10/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyFKOWSQLDSWQASI-UHFFFAOYSA-N
XLogP2.72
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethylcyclopentyl)-4-hydroxy-5-propyl-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-(3-ethylcyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-ethylcyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 65408300) is 2-(3-ethylcyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-ethylcyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-ethylcyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C2CCC(CC)C2)[nH]c1=O.
What is the InChIKey of 2-(3-ethylcyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is FKOWSQLDSWQASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-5-11-13(17)15-12(16-14(11)18)10-7-6-9(4-2)8-10/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-(3-ethylcyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(3-ethylcyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 250.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 65408300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).