1-(2-hydroxypentyl)pyrimidin-2-one

C9H14N2O2 — CID 62042362

IUPAC1-(2-hydroxypentyl)pyrimidin-2-one
SMILESCCCC(O)Cn1cccnc1=O
InChIInChI=1S/C9H14N2O2/c1-2-4-8(12)7-11-6-3-5-10-9(11)13/h3,5-6,8,12H,2,4,7H2,1H3
InChIKeySCGSOPSEQHSMAX-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.40
Rot. Bonds4

About 1-(2-hydroxypentyl)pyrimidin-2-one

1-(2-hydroxypentyl)pyrimidin-2-one (PubChem CID 62042362) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(2-hydroxypentyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxypentyl)pyrimidin-2-one
PubChem CID62042362
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(2-hydroxypentyl)pyrimidin-2-one
SMILESCCCC(O)Cn1cccnc1=O
InChIInChI=1S/C9H14N2O2/c1-2-4-8(12)7-11-6-3-5-10-9(11)13/h3,5-6,8,12H,2,4,7H2,1H3
InChIKeySCGSOPSEQHSMAX-UHFFFAOYSA-N
XLogP0.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxypentyl)pyrimidin-2-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 1-(2-hydroxypentyl)pyrimidin-2-one?
The IUPAC name of 1-(2-hydroxypentyl)pyrimidin-2-one (CID 62042362) is 1-(2-hydroxypentyl)pyrimidin-2-one.
What is the SMILES notation for 1-(2-hydroxypentyl)pyrimidin-2-one?
The canonical SMILES for 1-(2-hydroxypentyl)pyrimidin-2-one is CCCC(O)Cn1cccnc1=O.
What is the InChIKey of 1-(2-hydroxypentyl)pyrimidin-2-one?
The InChIKey is SCGSOPSEQHSMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-4-8(12)7-11-6-3-5-10-9(11)13/h3,5-6,8,12H,2,4,7H2,1H3.
What are the key properties of 1-(2-hydroxypentyl)pyrimidin-2-one?
1-(2-hydroxypentyl)pyrimidin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypentyl)pyrimidin-2-one is sourced from PubChem (CID 62042362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).