HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Imino-5-Methidyl-2-Trifluoromethylpyrimidine
Identifiers & Physical Properties
| CAS No. | 921227-53-4 |
|---|---|
| Molecular formula | C6H4F3N3 |
| Average molar mass | 175.11 g/mol |
| Monoisotopic mass | 175.03573163 g/mol |
| SMILES | C=C1C=NC(C(F)(F)F)=NC1=N |
| InChIKey | YKFRUALXTUDSBW-UHFFFAOYSA-N |
| PubChem CID | 4635111 |
| DTXSID | DTXSID10405047 |
Chemical & Physical Properties
| XLogP | 1.2 |
|---|---|
| Topological polar surface area | 48.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 0 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 298 |
| Drugs | Pharmaceuticals -> Listed in ZINC15 |