3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile
Chemical Structure Depiction of
3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile
3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile
Compound characteristics
| Compound ID: | 8011-9688 |
| Compound Name: | 3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile |
| Molecular Weight: | 182.15 |
| Molecular Formula: | C7 H7 F N4 O |
| Smiles: | C(CN1C=C(C(N)=NC1=O)F)C#N |
| Stereo: | ACHIRAL |
| logP: | -0.8738 |
| logD: | -0.8746 |
| logSw: | -0.1275 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.518 |
| InChI Key: | KZYMRIJBPNFFEV-UHFFFAOYSA-N |