1-methyl-N~4~-[(4-methylphenyl)methyl]-N~6~-(prop-2-en-1-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-methyl-N~4~-[(4-methylphenyl)methyl]-N~6~-(prop-2-en-1-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine--hydrogen chloride (1/1)
1-methyl-N~4~-[(4-methylphenyl)methyl]-N~6~-(prop-2-en-1-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | G414-0722 |
| Compound Name: | 1-methyl-N~4~-[(4-methylphenyl)methyl]-N~6~-(prop-2-en-1-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine--hydrogen chloride (1/1) |
| Molecular Weight: | 344.85 |
| Molecular Formula: | C17 H20 N6 |
| Salt: | HCl |
| Smiles: | Cc1ccc(CNc2c3cnn(C)c3nc(NCC=C)n2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9838 |
| logD: | 2.9572 |
| logSw: | -2.9366 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.014 |
| InChI Key: | XOTFCNYYRRIEMH-UHFFFAOYSA-N |