1,3-dimethyl-8-[(3-methylbutyl)amino]-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-8-[(3-methylbutyl)amino]-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-8-[(3-methylbutyl)amino]-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y600-2643 |
| Compound Name: | 1,3-dimethyl-8-[(3-methylbutyl)amino]-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 369.47 |
| Molecular Formula: | C20 H27 N5 O2 |
| Smiles: | CC(C)CCNc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2516 |
| logD: | 4.2515 |
| logSw: | -4.0422 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.959 |
| InChI Key: | JCJHIKZSMOOSDS-UHFFFAOYSA-N |