2-ethyl-1-{4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}butan-1-one
Chemical Structure Depiction of
2-ethyl-1-{4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}butan-1-one
2-ethyl-1-{4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}butan-1-one
Compound characteristics
Compound ID: | D430-0225 |
Compound Name: | 2-ethyl-1-{4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}butan-1-one |
Molecular Weight: | 381.52 |
Molecular Formula: | C22 H31 N5 O |
Smiles: | CCC(CC)C(N1CCN(CC1)c1cc(Nc2ccc(C)cc2)nc(C)n1)=O |
Stereo: | ACHIRAL |
logP: | 4.9802 |
logD: | 4.4641 |
logSw: | -4.5556 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.546 |
InChI Key: | HCGKMECTQDPHLB-UHFFFAOYSA-N |