4-anilino-2-(2H-1,3-benzodioxol-5-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidine-5-carboxamide
Chemical Structure Depiction of
4-anilino-2-(2H-1,3-benzodioxol-5-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidine-5-carboxamide
4-anilino-2-(2H-1,3-benzodioxol-5-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | V021-8263 |
| Compound Name: | 4-anilino-2-(2H-1,3-benzodioxol-5-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidine-5-carboxamide |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Salt: | not_available |
| Smiles: | CN1CCCC1CCNC(c1cnc(c2ccc3c(c2)OCO3)nc1Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5137 |
| logD: | 0.8581 |
| logSw: | -3.6671 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.879 |
| InChI Key: | PPFMNWISMORWTE-UHFFFAOYSA-N |