N~4~-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Chemical Structure Depiction of
N~4~-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
N~4~-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Compound characteristics
Compound ID: | G786-0136 |
Compound Name: | N~4~-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine |
Molecular Weight: | 373.41 |
Molecular Formula: | C17 H23 N7 O3 |
Smiles: | CCOc1ccc(cc1)Nc1c(c(N)nc(n1)N1CCN(C)CC1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 2.7958 |
logD: | 2.2239 |
logSw: | -3.3642 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 94.818 |
InChI Key: | YUFXCLCPCLMCEN-UHFFFAOYSA-N |