8-(butylamino)-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(butylamino)-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-(butylamino)-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4236-0922 |
| Compound Name: | 8-(butylamino)-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 341.41 |
| Molecular Formula: | C18 H23 N5 O2 |
| Smiles: | CCCCNc1nc2c(C(NC(N2C)=O)=O)n1Cc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8454 |
| logD: | 3.8453 |
| logSw: | -3.8218 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.873 |
| InChI Key: | VRNIZJNFEOHDGA-UHFFFAOYSA-N |