HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Iodo-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione
1,3,6-Trimethyl-5-iodouracil · 5-IODO-1,3,6-TRIMETHYLURACIL · 5-Iodo-1,3,6-trimethyluracii · 5-IODO-1,3,6-TRIMETHYLURACIL(WXG02327) · 5-iodo-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione · 2,4(1H,3H)-Pyrimidinedione, 5-iodo-1,3,6-trimethyl- · 1,2,3,4-Tetrahydro-5-iodo-1,3,6-trimethyl-2,4-dioxopyrimidine
Identifiers & Physical Properties
| CAS No. | 134039-54-6 |
|---|---|
| Molecular formula | C7H9IN2O2 |
| Average molar mass | 280.06 g/mol |
| Monoisotopic mass | 279.97087553 g/mol |
| SMILES | Cc1c(I)c(=O)n(C)c(=O)n1C |
| InChIKey | OGGRCIQVWZBFPS-UHFFFAOYSA-N |
| PubChem CID | 10923939 |
| DTXSID | DTXSID40448543 |
Chemical & Physical Properties
| XLogP | 0.4 |
|---|---|
| Topological polar surface area | 40.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 285 |
| Melting point | 152-153 °C(Solv: ligroine (8032-32-4)) |
| Boiling point | 273.0±43.0 °C(Predicted) |
| Density | 1.91±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | -3.51±0.60(Predicted) |