HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
DP 733 · DuP-733 · Du-Pont 733 · Du Pont-733 · Compound-733 · Compound 733
Identifiers & Physical Properties
| CAS No. | 7286-76-2 |
|---|---|
| Molecular formula | C9H13BrN2O2 |
| Average molar mass | 261.12 g/mol |
| Monoisotopic mass | 260.01604 g/mol |
| SMILES | Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Br |
| InChIKey | BSWOMKORDXSSKG-UHFFFAOYSA-N |
| PubChem CID | 23713 |
| ChEMBL | CHEMBL5008275 |
| DTXSID | DTXSID10223162 |
Chemical & Physical Properties
| XLogP | 0.4 |
|---|---|
| Topological polar surface area | 49.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 328 |
| Melting point | 188°C |
| Density | 1.5552 (rough estimate) |
| Refractive index | 1.5410 (estimate) |
| Solubility | 0.41g/L(25 ºC) |