1,3-Dimethyluracil | SBID = 719 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 40.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.5 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 107.7 | ||
| Sum Formula: | C6H8N2O2 | ||
| M / g/mol: | 140.14 | ||
| Complexity: | 210.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: 1,3-Dimethyluracil
- Preferred Abbreviation: 1,3-Dimethyluracil
- IUPAC Name: 1,3-dimethylpyrimidine-2,4-dione
- CAS: 874-14-6
- CID: 70122
- InChiKey: JSDBKAHWADVXFU-UHFFFAOYSA-N
- InChi: InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3
- CanoSmiles: CN1C=CC(=O)N(C1=O)C
- IsoSmiles: CN1C=CC(=O)N(C1=O)C
