N~6~-butyl-N~4~-(4-chloro-2-methylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Chemical Structure Depiction of
N~6~-butyl-N~4~-(4-chloro-2-methylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
N~6~-butyl-N~4~-(4-chloro-2-methylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Compound characteristics
| Compound ID: | E781-0307 |
| Compound Name: | N~6~-butyl-N~4~-(4-chloro-2-methylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine |
| Molecular Weight: | 344.85 |
| Molecular Formula: | C17 H21 Cl N6 |
| Smiles: | CCCCNc1nc(c2cnn(C)c2n1)Nc1ccc(cc1C)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0599 |
| logD: | 5.0508 |
| logSw: | -5.05 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.994 |
| InChI Key: | VOLQCOWTGKZZQB-UHFFFAOYSA-N |