Molecular properties
- Formula
- C4H4N2O2
- Molar mass
- 112.09 g·mol−1
- Exact mass
- 112.0273 Da
- 4
- 2
- 2
- 58.20 Ų
- -1.1 (PubChem computed XLogP3-AA descriptor)
- CAS
- 66-22-8
- PubChem CID
- 1174
Molecule record
uracil
C4H4N2O2
112.09 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Amide
Amine
Aromatic ring
Phenol
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | -1.1 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1,2,3,4-tetrahydropyrimidine-2,4-dione
- 1H-Pyrimidine-2,4-dione
- 2, 4-Dioxopyrimidine
- 2,4(1H,3H)-Pyrimidinedione
- 2,4-Dioxopyrimidine
- 2,4-Pyrimidinedione
- 2-hydroxy-4-(1H)-pyrimidione
- 56HH86ZVCT
Show all 23 synonyms
- 66-22-8
- BMS-205603-01
- CHEBI:17568
- DTXCID101424
- DTXSID4021424
- Hybar X
- NSC-3970
- NSC3970
- Pirod
- Pyrod
- RefChem:6338
- SQ-6201
- SQ-7726
- SQ-8493
- pyrimidine-2,4(1H,3H)-dione
Structure identifiers
- Canonical SMILES
- C1=CNC(=O)NC1=O
- Isomeric SMILES
- C1=CNC(=O)NC1=O
- InChI
- InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
- InChIKey
- ISAKRJDGNUQOIC-UHFFFAOYSA-N
- PubChem CID
- 1174
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
1660 cm−1amide C=O (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for uracil; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for uracil; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.