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| IUPAC Name: | 6-amino-1,3-dimethylpyrimidine-2,4-dione |
| Description: | 6-Amino-1,3-dimethyluracil is one of Caffeine derivatives. Caffeine is a CNS stimulant. Alkaloid, purified from plants of Coffea genus, Rubiaceae. |
| Molecular Weight: | 155.15 |
| Molecular Formula: | C6H9N3O2 |
| Canonical SMILES: | CN1C(=CC(=O)N(C1=O)C)N |
| InChI: | InChI=1S/C6H9N3O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,7H2,1-2H3 |
| InChI Key: | VFGRNTYELNYSKJ-UHFFFAOYSA-N |
| Boiling Point: | 243.1±43.0°C (Predicted) |
| Melting Point: | >250°C (dec.) |
| Purity: | 95% |
| Density: | 1.288±0.06 g/cm3 (Predicted) |
| Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly, Sonicated) |
| Appearance: | Pale beige solid |
| Storage: | Store at 2-8°C |
| MDL: | MFCD00006552 |
| LogP: | -0.75260 |
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