N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | S823-1976 |
| Compound Name: | N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide |
| Molecular Weight: | 312.37 |
| Molecular Formula: | C17 H20 N4 O2 |
| Smiles: | C(c1ccccc1)N1C[C@H]([C@@H](C1)CO)NC(c1cncnc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2745 |
| logD: | -1.6403 |
| logSw: | -1.3202 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.406 |
| InChI Key: | CJKLWGGTZQYYNG-CVEARBPZSA-N |