About N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide
N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide (PubChem CID 158937957) has the molecular formula C138H181Cl2F3N58O12
and a molecular weight of 2972.26 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide (CID 158937957) is N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide is CC(C)NC(=O)c1cnc(Nc2nc(NCCN(C)C)nc(-c3ccccc3)n2)o1.CCCNC(=O)c1cnc(Nc2nc(CC)nc(NCCN(C)C)n2)o1.CCNC(=O)c1cnc(Nc2nc(CC)nc(NCCN(C)C)n2)o1.CCc1nc(Nc2ncc(C(=O)NC(C)C)o2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ncc(C(=O)NC3CC3)o2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide?
The InChIKey is JJWPJFKALIHPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClF3N9O.C26H28ClN9O.C20H26N8O2.C17H24N8O2.C17H26N8O2.C16H26N8O2.C15H24N8O2/c1-16-6-4-9-20(28)22(16)35-23(41)21-15-32-25(38(21)3)36-24-33-17(2)34-26(37-24)40-12-10-39(11-13-40)19-8-5-7-18(14-19)27(29,30)31;1-17-8-7-11-20(27)22(17)31-23(37)21-16-28-25(34(21)3)32-24-29-18(2)30-26(33-24)36-14-12-35(13-15-36)19-9-5-4-6-10-19;1-13(2)23-17(29)15-12-22-20(30-15)27-19-25-16(14-8-6-5-7-9-14)24-18(26-19)21-10-11-28(3)4;1-3-13-20-15(22-16(21-13)25-8-6-24(2)7-9-25)23-17-18-10-12(27-17)14(26)19-11-4-5-11;1-5-13-20-15(22-16(21-13)25-8-6-24(4)7-9-25)23-17-18-10-12(27-17)14(26)19-11(2)3;1-5-7-17-13(25)11-10-19-16(26-11)23-15-21-12(6-2)20-14(22-15)18-8-9-24(3)4;1-5-11-19-13(17-7-8-23(3)4)21-14(20-11)22-15-18-9-10(25-15)12(24)16-6-2/h4-9,14-15H,10-13H2,1-3H3,(H,35,41)(H,32,33,34,36,37);4-11,16H,12-15H2,1-3H3,(H,31,37)(H,28,29,30,32,33);5-9,12-13H,10-11H2,1-4H3,(H,23,29)(H2,21,22,24,25,26,27);10-11H,3-9H2,1-2H3,(H,19,26)(H,18,20,21,22,23);10-11H,5-9H2,1-4H3,(H,19,26)(H,18,20,21,22,23);10H,5-9H2,1-4H3,(H,17,25)(H2,18,19,20,21,22,23);9H,5-8H2,1-4H3,(H,16,24)(H2,17,18,19,20,21,22).
What are the key properties of N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide has a molecular weight of 2972.26 g/mol, XLogP of 15.83, 52 rotatable bonds, 17 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-propyl-1,3-oxazole-5-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 158937957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).