N-(2-{[3,6-dimethyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-N'-propylurea
Chemical Structure Depiction of
N-(2-{[3,6-dimethyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-N'-propylurea
N-(2-{[3,6-dimethyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-N'-propylurea
Compound characteristics
| Compound ID: | V017-4942 |
| Compound Name: | N-(2-{[3,6-dimethyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-N'-propylurea |
| Molecular Weight: | 381.48 |
| Molecular Formula: | C20 H27 N7 O |
| Salt: | not_available |
| Smiles: | CCCNC(NCCNc1c2c(C)nn(c3ccccc3C)c2nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.523 |
| logD: | 2.2392 |
| logSw: | -2.7705 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.791 |
| InChI Key: | WRXSSLLEKHAFQL-UHFFFAOYSA-N |