N~6~-benzyl-N~4~-(4-chloro-2-methylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Chemical Structure Depiction of
N~6~-benzyl-N~4~-(4-chloro-2-methylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
N~6~-benzyl-N~4~-(4-chloro-2-methylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Compound characteristics
| Compound ID: | E781-0317 |
| Compound Name: | N~6~-benzyl-N~4~-(4-chloro-2-methylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine |
| Molecular Weight: | 378.86 |
| Molecular Formula: | C20 H19 Cl N6 |
| Smiles: | Cc1cc(ccc1Nc1c2cnn(C)c2nc(NCc2ccccc2)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0102 |
| logD: | 4.9872 |
| logSw: | -5.0205 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.881 |
| InChI Key: | YTFBHYCJDVSJBF-UHFFFAOYSA-N |