4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | M503-1880 |
| Compound Name: | 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 389.46 |
| Molecular Formula: | C22 H23 N5 O2 |
| Smiles: | CCOc1ccc(cc1)NC(c1cnc(nc1N)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2989 |
| logD: | 3.2982 |
| logSw: | -3.5105 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.284 |
| InChI Key: | CLJKPHADKKOLRI-UHFFFAOYSA-N |