3-{[4-methyl-6-oxo-2-(pyrrolidin-1-yl)pyrimidin-1(6H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[4-methyl-6-oxo-2-(pyrrolidin-1-yl)pyrimidin-1(6H)-yl]methyl}benzonitrile
3-{[4-methyl-6-oxo-2-(pyrrolidin-1-yl)pyrimidin-1(6H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | P194-1764 |
| Compound Name: | 3-{[4-methyl-6-oxo-2-(pyrrolidin-1-yl)pyrimidin-1(6H)-yl]methyl}benzonitrile |
| Molecular Weight: | 294.35 |
| Molecular Formula: | C17 H18 N4 O |
| Smiles: | CC1=CC(N(Cc2cccc(C#N)c2)C(=N1)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0764 |
| logD: | 2.0764 |
| logSw: | -2.4637 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 46.378 |
| InChI Key: | FZNBKHCPYBIVGR-UHFFFAOYSA-N |