N~4~-(3-chloro-4-methoxyphenyl)-N~6~-(3-methoxypropyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Chemical Structure Depiction of
N~4~-(3-chloro-4-methoxyphenyl)-N~6~-(3-methoxypropyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
N~4~-(3-chloro-4-methoxyphenyl)-N~6~-(3-methoxypropyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Compound characteristics
| Compound ID: | E781-0254 |
| Compound Name: | N~4~-(3-chloro-4-methoxyphenyl)-N~6~-(3-methoxypropyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine |
| Molecular Weight: | 376.84 |
| Molecular Formula: | C17 H21 Cl N6 O2 |
| Smiles: | Cn1c2c(cn1)c(Nc1ccc(c(c1)[Cl])OC)nc(NCCCOC)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.2727 |
| logD: | 3.2671 |
| logSw: | -3.5486 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.665 |
| InChI Key: | XYZPWDKENSXAQW-UHFFFAOYSA-N |