N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-1-methyl-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-1-methyl-1H-pyrrole-2-carboxamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-1-methyl-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | S823-2014 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-1-methyl-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 301.35 |
| Molecular Formula: | C15 H19 N5 O2 |
| Smiles: | Cn1cccc1C(N[C@@H]1CN(C[C@H]1CO)c1ncccn1)=O |
| Stereo: | RELATIVE |
| logP: | 1.1842 |
| logD: | 1.1842 |
| logSw: | -1.7861 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.155 |
| InChI Key: | VJFXWUMPGMHXGO-NEPJUHHUSA-N |