3-(oxolan-3-yl)pyrimidin-4-one

C8H10N2O2 — CID 126857521

IUPAC3-(oxolan-3-yl)pyrimidin-4-one
SMILESO=c1ccncn1C1CCOC1
InChIInChI=1S/C8H10N2O2/c11-8-1-3-9-6-10(8)7-2-4-12-5-7/h1,3,6-7H,2,4-5H2
InChIKeyHHAJPXWENRUAMX-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.20
Rot. Bonds1

About 3-(oxolan-3-yl)pyrimidin-4-one

3-(oxolan-3-yl)pyrimidin-4-one (PubChem CID 126857521) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-(oxolan-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(oxolan-3-yl)pyrimidin-4-one
PubChem CID126857521
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-(oxolan-3-yl)pyrimidin-4-one
SMILESO=c1ccncn1C1CCOC1
InChIInChI=1S/C8H10N2O2/c11-8-1-3-9-6-10(8)7-2-4-12-5-7/h1,3,6-7H,2,4-5H2
InChIKeyHHAJPXWENRUAMX-UHFFFAOYSA-N
XLogP0.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(oxolan-3-yl)pyrimidin-4-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 3-(oxolan-3-yl)pyrimidin-4-one?
The IUPAC name of 3-(oxolan-3-yl)pyrimidin-4-one (CID 126857521) is 3-(oxolan-3-yl)pyrimidin-4-one.
What is the SMILES notation for 3-(oxolan-3-yl)pyrimidin-4-one?
The canonical SMILES for 3-(oxolan-3-yl)pyrimidin-4-one is O=c1ccncn1C1CCOC1.
What is the InChIKey of 3-(oxolan-3-yl)pyrimidin-4-one?
The InChIKey is HHAJPXWENRUAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8-1-3-9-6-10(8)7-2-4-12-5-7/h1,3,6-7H,2,4-5H2.
What are the key properties of 3-(oxolan-3-yl)pyrimidin-4-one?
3-(oxolan-3-yl)pyrimidin-4-one has a molecular weight of 166.18 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)pyrimidin-4-one is sourced from PubChem (CID 126857521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).