Pyrimidine | SBID = 1124 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 25.8 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.4 | ||
| 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: | 63.2 | ||
| Sum Formula: | C4H4N2 | ||
| M / g/mol: | 80.09 | ||
| Complexity: | 32.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: Pyrimidine
- Preferred Abbreviation: Pyrimidine
- IUPAC Name: pyrimidine
- CAS: 289-95-2
- CID: 9260
- InChiKey: CZPWVGJYEJSRLH-UHFFFAOYSA-N
- InChi: InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
- CanoSmiles: C1=CN=CN=C1
- IsoSmiles: C1=CN=CN=C1
