N,N-dimethyl-4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazine-1-carboxamide
Chemical Structure Depiction of
N,N-dimethyl-4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazine-1-carboxamide
N,N-dimethyl-4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V005-4490 |
| Compound Name: | N,N-dimethyl-4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazine-1-carboxamide |
| Molecular Weight: | 426.52 |
| Molecular Formula: | C22 H30 N6 O3 |
| Salt: | not_available |
| Smiles: | CC(C)c1nc(C)c(Cc2ccc(cc2)[N+]([O-])=O)c(n1)N1CCN(CC1)C(N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1288 |
| logD: | 3.9942 |
| logSw: | -4.2548 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.496 |
| InChI Key: | QXDRLJCWFMVZOS-UHFFFAOYSA-N |