1,7-Dimethyl-3-isobutylxanthine
1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione
Also Known As: 1,7-Dimethyl-3-isobutylxanthine|1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione|3-(2-Methylpropyl)-1,7-dimethylxanthine|464D848|3-Isobutyl-1,7-dimethyl-3,7-dihydro-purine-2,6-dione|1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-3-(2-methylpropyl)-|3-Isobutyl-1,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione|1,7-dimethyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,7-Dimethyl-3-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C11H16N4O2 |
|---|---|
| Molecular Weight | 236.12732 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.12732 |
| Monoisotopic Mass | 236.12732 |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 7464-84-8 |
|---|---|
| SMILES | CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C |
| InChIKey | GJZLMIMXCYMPSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,7-Dimethyl-3-isobutylxanthine (CAS 7464-84-8), with molecular formula C11H16N4O2 and molecular weight 236.12732 g/mol. IUPAC: 1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione.