4-amino-2-(azepan-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimidine-5-carboxamide
Chemical Structure Depiction of
4-amino-2-(azepan-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimidine-5-carboxamide
4-amino-2-(azepan-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | M503-1568 |
| Compound Name: | 4-amino-2-(azepan-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimidine-5-carboxamide |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C20 H27 N5 O3 |
| Smiles: | COc1ccc(CNC(c2cnc(nc2N)N2CCCCCC2)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8452 |
| logD: | 2.8448 |
| logSw: | -3.3299 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.326 |
| InChI Key: | ZWXGUQKUNWEGIN-UHFFFAOYSA-N |