2-(3,4-dimethylanilino)-2'-(4-ethylpiperazin-1-yl)-4'-methyl[4,5'-bipyrimidin]-6(1H)-one
Chemical Structure Depiction of
2-(3,4-dimethylanilino)-2'-(4-ethylpiperazin-1-yl)-4'-methyl[4,5'-bipyrimidin]-6(1H)-one
2-(3,4-dimethylanilino)-2'-(4-ethylpiperazin-1-yl)-4'-methyl[4,5'-bipyrimidin]-6(1H)-one
Compound characteristics
| Compound ID: | Y020-4065 |
| Compound Name: | 2-(3,4-dimethylanilino)-2'-(4-ethylpiperazin-1-yl)-4'-methyl[4,5'-bipyrimidin]-6(1H)-one |
| Molecular Weight: | 419.53 |
| Molecular Formula: | C23 H29 N7 O |
| Smiles: | CCN1CCN(CC1)c1ncc(C2=CC(NC(Nc3ccc(C)c(C)c3)=N2)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1321 |
| logD: | 2.4426 |
| logSw: | -3.0842 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.172 |
| InChI Key: | QSMSMHMEAOCGJK-UHFFFAOYSA-N |