Molecular properties
- Formula
- C4H4N2O
- Molar mass
- 96.09 g·mol−1
- Exact mass
- 96.0324 Da
- 4
- PubChem CID
- 20695
Molecule record
1H-pyrimidin-6-one
C4H4N2O
96.09 g/mol
Loading structure
Functional groups
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 224-932-4
- 3,4-dihydropyrimidin-4-one
- 4(1H)-PYRIMIDINONE
- 4(3H)-Pyrimidone
- 4-Hydroxypyrimidine
- 4-OH-P
- 4-Oxopyrimidine
- 4-Oxypyrimidine
Show all 24 synonyms
- 4-Pyrimidinol
- 4-Pyrimidinone
- 4-Pyrimidone
- 4562-27-0
- 51953-18-5
- 542-27-8
- DTXCID2040442
- DTXSID5063524
- Deaminoisocytosine
- K43V90OY4L
- NSC-1575
- NSC-157911
- RefChem:524080
- pyrimidin-4(1H)-one
- pyrimidin-4(3H)-one
- pyrimidin-4-ol
Structure identifiers
- Canonical SMILES
- O=c1ccnc[nH]1
- Isomeric SMILES
- C1=CN=CNC1=O
- InChI
- InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)
- InChIKey
- DNCYBUMDUBHIJZ-UHFFFAOYSA-N
- PubChem CID
- 20695
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 1H-pyrimidin-6-one; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1H-pyrimidin-6-one; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.