N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | S639-0659 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 357.46 |
| Molecular Formula: | C18 H27 N7 O |
| Smiles: | Cc1cc(C)n(CC(N[C@@H]2CN(C[C@H]2CN(C)C)c2ccncn2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0757 |
| logD: | -2.2721 |
| logSw: | -1.6049 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.595 |
| InChI Key: | DUVHFAOOKLNDKP-HOTGVXAUSA-N |