1-{4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl}-3,3-dimethylbutan-1-one
Chemical Structure Depiction of
1-{4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl}-3,3-dimethylbutan-1-one
1-{4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl}-3,3-dimethylbutan-1-one
Compound characteristics
| Compound ID: | G868-0293 |
| Compound Name: | 1-{4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl}-3,3-dimethylbutan-1-one |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C22 H31 N5 O2 |
| Smiles: | Cc1cc(Nc2ccc(cc2)OC)nc(n1)N1CCN(CC1)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5708 |
| logD: | 3.9954 |
| logSw: | -4.4077 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.219 |
| InChI Key: | IJJKYQFKJCAJGC-UHFFFAOYSA-N |