2-(3,4-dimethylanilino)-4'-methyl-2'-(4-methylpiperazin-1-yl)[4,5'-bipyrimidin]-6(1H)-one
Chemical Structure Depiction of
2-(3,4-dimethylanilino)-4'-methyl-2'-(4-methylpiperazin-1-yl)[4,5'-bipyrimidin]-6(1H)-one
2-(3,4-dimethylanilino)-4'-methyl-2'-(4-methylpiperazin-1-yl)[4,5'-bipyrimidin]-6(1H)-one
Compound characteristics
| Compound ID: | Y020-4048 |
| Compound Name: | 2-(3,4-dimethylanilino)-4'-methyl-2'-(4-methylpiperazin-1-yl)[4,5'-bipyrimidin]-6(1H)-one |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C22 H27 N7 O |
| Smiles: | Cc1ccc(cc1C)NC1NC(C=C(c2cnc(nc2C)N2CCN(C)CC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7874 |
| logD: | 2.2155 |
| logSw: | -3.1901 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.112 |
| InChI Key: | VJFFTXBBHOIITE-UHFFFAOYSA-N |