8-[(butan-2-yl)amino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(butan-2-yl)amino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-[(butan-2-yl)amino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4555-0163 |
| Compound Name: | 8-[(butan-2-yl)amino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C19 H25 N5 O2 |
| Smiles: | CCC(C)Nc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9916 |
| logD: | 3.9913 |
| logSw: | -3.9565 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.559 |
| InChI Key: | LFDJDPCURLFNQR-ZDUSSCGKSA-N |