8-(butylamino)-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(butylamino)-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-(butylamino)-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0019 |
| Compound Name: | 8-(butylamino)-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C19 H25 N5 O2 |
| Smiles: | CCCCNc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 4.3707 |
| logD: | 4.3699 |
| logSw: | -4.1144 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.959 |
| InChI Key: | NJUXJDHAEREUCR-UHFFFAOYSA-N |