N~6~-butyl-N~4~-(4-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N~6~-butyl-N~4~-(4-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine--hydrogen chloride (1/1)
N~6~-butyl-N~4~-(4-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E781-0421 |
| Compound Name: | N~6~-butyl-N~4~-(4-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine--hydrogen chloride (1/1) |
| Molecular Weight: | 367.28 |
| Molecular Formula: | C16 H19 Cl N6 |
| Salt: | HCl |
| Smiles: | CCCCNc1nc(c2cnn(C)c2n1)Nc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.477 |
| logD: | 4.468 |
| logSw: | -4.4487 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.692 |
| InChI Key: | HUSQDRWHJBIZMO-UHFFFAOYSA-N |