N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-N'-[(4-methoxyphenyl)methyl]urea
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-N'-[(4-methoxyphenyl)methyl]urea
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-N'-[(4-methoxyphenyl)methyl]urea
Compound characteristics
| Compound ID: | S639-3814 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-N'-[(4-methoxyphenyl)methyl]urea |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C20 H28 N6 O2 |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(NCc1ccc(cc1)OC)=O)c1ncccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3374 |
| logD: | -0.7882 |
| logSw: | -1.7756 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.588 |
| InChI Key: | IYMVCVOJNRPRJZ-WMZOPIPTSA-N |