4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one

C9H7N3O2 — CID 136598664

IUPAC4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc[nH]c2=O)nc[nH]1
InChIInChI=1S/C9H7N3O2/c13-8-4-7(11-5-12-8)6-2-1-3-10-9(6)14/h1-5H,(H,10,14)(H,11,12,13)
InChIKeyOMQIFVLYTRTQMC-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.13
Rot. Bonds1

About 4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one

4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one (PubChem CID 136598664) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one
PubChem CID136598664
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc[nH]c2=O)nc[nH]1
InChIInChI=1S/C9H7N3O2/c13-8-4-7(11-5-12-8)6-2-1-3-10-9(6)14/h1-5H,(H,10,14)(H,11,12,13)
InChIKeyOMQIFVLYTRTQMC-UHFFFAOYSA-N
XLogP0.13
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-oxo-1H-pyridin-3-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

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one (CID 136598664) is 4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one is O=c1cc(-c2ccc[nH]c2=O)nc[nH]1.
What is the InChIKey of 4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is OMQIFVLYTRTQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-8-4-7(11-5-12-8)6-2-1-3-10-9(6)14/h1-5H,(H,10,14)(H,11,12,13).
What are the key properties of 4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one?
4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 189.17 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136598664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).