4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | M503-1408 |
| Compound Name: | 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide |
| Molecular Weight: | 440.91 |
| Molecular Formula: | C22 H22 Cl F N6 O |
| Smiles: | C(c1ccc(c(c1)[Cl])F)NC(c1cnc(nc1N)N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3798 |
| logD: | 3.3786 |
| logSw: | -3.6941 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.081 |
| InChI Key: | AFSYQEVMNCSWAC-UHFFFAOYSA-N |