3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione
1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione
Also Known As: Theophylline, 8-isobutyl-|8-Isobutyl theophylline|Theophylline,8-isobutyl|8-ISOBUTYLTHEOPHYLLINE|methylisobutylmethylxanthine|NCIOpen2_006879|Xanthine, 1,3-dimethyl-8-isobutyl-|Xanthine,3-dimethyl-8-isobutyl-|1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-methylpropyl)-|4-26-00-02479 (Beilstein Handbook Reference)|8-Isobutyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione|8-isobutyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione|1,3-dimethyl-8-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3-Dimethyl-8-isobutyl-1H-purine-2,6(3H,7H)-dione|1H-Purine-2, 3,7-dihydro-1,3-dimethyl-8-(2-methylpropyl)-|1,3-Dimethyl-8-(2-methylpropyl)-1H-purine-2,6(3H,7H)-dione|1,3-dimethyl-8-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione|1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1,3-DIMETHYL-8-(2-METHYLPROPYL)-
| Molecular Formula | C11H16N4O2 |
|---|---|
| Molecular Weight | 236.12732 g/mol |
| LogP | 0.16 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.12732 |
| Heavy Atoms | 17 |
| Complexity | 675.1 |
Chemical Identifiers
| CAS Number | 5770-30-9 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
Product Overview
3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione (CAS 5770-30-9), with molecular formula C11H16N4O2 and molecular weight 236.12732 g/mol. IUPAC: 1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione.
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