8-{[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methoxy}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methoxy}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-{[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methoxy}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-9025 |
| Compound Name: | 8-{[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methoxy}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 493.52 |
| Molecular Formula: | C23 H27 N9 O4 |
| Smiles: | Cc1ccc(Cn2c3C(N(C)C(N(C)c3nc2OCc2nc(N)nc(n2)N2CCOCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7456 |
| logD: | 2.7454 |
| logSw: | -2.8105 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.843 |
| InChI Key: | IFMCHYUDLRXNAO-UHFFFAOYSA-N |