1,3-Dimethylbarbituric acid | SBID = 720 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 57.7 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.8 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 113.7 | ||
| Sum Formula: | C6H8N2O3 | ||
| M / g/mol: | 156.14 | ||
| Complexity: | 214.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: 1,3-Dimethylbarbituric acid
- Preferred Abbreviation: 1,3-Dimethylbarbituric acid
- IUPAC Name: 1,3-dimethyl-1,3-diazinane-2,4,6-trione
- CAS: 769-42-6
- CID: 69860
- InChiKey: VVSASNKOFCZVES-UHFFFAOYSA-N
- InChi: InChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3
- CanoSmiles: CN1C(=O)CC(=O)N(C1=O)C
- IsoSmiles: CN1C(=O)CC(=O)N(C1=O)C
