3-Methyl-4,5-diaminouracil
5,6-diamino-1-methylpyrimidine-2,4-dione
Also Known As: 5,6-DIAMINO-1-METHYLURACIL|3-Methyl-4,5-diaminouracil|Linagliptin Impurity 85|6-Diamino-1-methyluracil|1-Methyl-5,6-diaminouracil|5,6-diamino-1-methylpyrimidine-2,4-dione|5,6-diamino-1-methylpyrimidine-2,4(1H,3H)-dione|NCIOpen2_000202|4,5-DIAMINO-3-METHYLURACIL|AMY2620|5,6-Diamino-1-methyl-2,4(1H,3H)-pyrimidinedione|KS-00000K2M|2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-1-methyl-|5,6-diamino-1-methyl-pyrimidine-2,4-dione|URACIL, 5,6-DIAMINO-1-METHYL-|AN-2514|Q112
| Molecular Formula | C5H8N4O2 |
|---|---|
| Molecular Weight | 156.06473 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.06473 |
| Monoisotopic Mass | 156.06473 |
| Heavy Atoms | 11 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 6972-82-3 |
|---|---|
| SMILES | CN1C(=C(C(=O)NC1=O)N)N |
| InChIKey | PSIJQVXIJHUQPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-4,5-diaminouracil (CAS 6972-82-3), with molecular formula C5H8N4O2 and molecular weight 156.06473 g/mol. IUPAC: 5,6-diamino-1-methylpyrimidine-2,4-dione.