N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | D576-0110 |
| Compound Name: | N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 417.47 |
| Molecular Formula: | C23 H23 N5 O3 |
| Smiles: | Cc1cc(Nc2ccc(cc2)NC(c2ccc3c(c2)OCO3)=O)nc(n1)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.7414 |
| logD: | 4.4154 |
| logSw: | -4.5053 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.048 |
| InChI Key: | QHKMPILUGWQLBX-UHFFFAOYSA-N |