2-{[4-(methoxymethyl)-6-oxo-2-(pyrrolidin-1-yl)pyrimidin-1(6H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[4-(methoxymethyl)-6-oxo-2-(pyrrolidin-1-yl)pyrimidin-1(6H)-yl]methyl}benzonitrile
2-{[4-(methoxymethyl)-6-oxo-2-(pyrrolidin-1-yl)pyrimidin-1(6H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | P194-0430 |
| Compound Name: | 2-{[4-(methoxymethyl)-6-oxo-2-(pyrrolidin-1-yl)pyrimidin-1(6H)-yl]methyl}benzonitrile |
| Molecular Weight: | 324.38 |
| Molecular Formula: | C18 H20 N4 O2 |
| Smiles: | COCC1=CC(N(Cc2ccccc2C#N)C(=N1)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8837 |
| logD: | 1.8837 |
| logSw: | -2.6757 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.409 |
| InChI Key: | MMFOTJVRIZGQRD-UHFFFAOYSA-N |