2-(3,5-dimethylanilino)pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(3,5-dimethylanilino)pyrimidin-4(3H)-one
2-(3,5-dimethylanilino)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | D416-0440 |
| Compound Name: | 2-(3,5-dimethylanilino)pyrimidin-4(3H)-one |
| Molecular Weight: | 215.25 |
| Molecular Formula: | C12 H13 N3 O |
| Smiles: | Cc1cc(C)cc(c1)NC1NC(C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8678 |
| logD: | 1.8674 |
| logSw: | -2.3434 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.652 |
| InChI Key: | BXXRKGPQORBVRU-UHFFFAOYSA-N |