N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide

C139H166Cl6F3N53O8 — CID 161204733

IUPACN-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide
SMILESCCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)n1.CCc1nc(NCCO)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(CCO)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(c3ccccc3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCNCC2)n1
InChIInChI=1S/C28H29ClF3N9O.C27H30ClN9O.C23H30ClN9O2.C21H26ClN9O.C21H28ClN9O.C19H23ClN8O2/c1-4-22-34-25(37-26-33-16-21(39(26)3)24(42)36-23-17(2)7-5-10-20(23)29)38-27(35-22)41-13-11-40(12-14-41)19-9-6-8-18(15-19)28(30,31)32;1-4-22-30-25(34-27(31-22)37-15-13-36(14-16-37)19-10-6-5-7-11-19)33-26-29-17-21(35(26)3)24(38)32-23-18(2)9-8-12-20(23)28;1-4-18-26-21(30-23(27-18)33-10-8-32(9-11-33)12-13-34)29-22-25-14-17(31(22)3)20(35)28-19-15(2)6-5-7-16(19)24;1-4-16-25-19(29-21(26-16)31-10-8-23-9-11-31)28-20-24-12-15(30(20)3)18(32)27-17-13(2)6-5-7-14(17)22;1-6-16-25-19(23-10-11-30(3)4)28-20(26-16)29-21-24-12-15(31(21)5)18(32)27-17-13(2)8-7-9-14(17)22;1-4-14-23-17(21-8-9-29)26-18(24-14)27-19-22-10-13(28(19)3)16(30)25-15-11(2)6-5-7-12(15)20/h5-10,15-16H,4,11-14H2,1-3H3,(H,36,42)(H,33,34,35,37,38);5-12,17H,4,13-16H2,1-3H3,(H,32,38)(H,29,30,31,33,34);5-7,14,34H,4,8-13H2,1-3H3,(H,28,35)(H,25,26,27,29,30);5-7,12,23H,4,8-11H2,1-3H3,(H,27,32)(H,24,25,26,28,29);7-9,12H,6,10-11H2,1-5H3,(H,27,32)(H2,23,24,25,26,28,29);5-7,10,29H,4,8-9H2,1-3H3,(H,25,30)(H2,21,22,23,24,26,27)
InChIKeyUVLGTIALOYUTLP-UHFFFAOYSA-N
MW2976.93 g/mol
LogP20.32
Rot. Bonds45

About N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide (PubChem CID 161204733) has the molecular formula C139H166Cl6F3N53O8 and a molecular weight of 2976.93 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide
PubChem CID161204733
Molecular FormulaC139H166Cl6F3N53O8
Molecular Weight2976.93 g/mol
Exact Mass2972.23
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide
SMILESCCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)n1.CCc1nc(NCCO)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(CCO)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(c3ccccc3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCNCC2)n1
InChIInChI=1S/C28H29ClF3N9O.C27H30ClN9O.C23H30ClN9O2.C21H26ClN9O.C21H28ClN9O.C19H23ClN8O2/c1-4-22-34-25(37-26-33-16-21(39(26)3)24(42)36-23-17(2)7-5-10-20(23)29)38-27(35-22)41-13-11-40(12-14-41)19-9-6-8-18(15-19)28(30,31)32;1-4-22-30-25(34-27(31-22)37-15-13-36(14-16-37)19-10-6-5-7-11-19)33-26-29-17-21(35(26)3)24(38)32-23-18(2)9-8-12-20(23)28;1-4-18-26-21(30-23(27-18)33-10-8-32(9-11-33)12-13-34)29-22-25-14-17(31(22)3)20(35)28-19-15(2)6-5-7-16(19)24;1-4-16-25-19(29-21(26-16)31-10-8-23-9-11-31)28-20-24-12-15(30(20)3)18(32)27-17-13(2)6-5-7-14(17)22;1-6-16-25-19(23-10-11-30(3)4)28-20(26-16)29-21-24-12-15(31(21)5)18(32)27-17-13(2)8-7-9-14(17)22;1-4-14-23-17(21-8-9-29)26-18(24-14)27-19-22-10-13(28(19)3)16(30)25-15-11(2)6-5-7-12(15)20/h5-10,15-16H,4,11-14H2,1-3H3,(H,36,42)(H,33,34,35,37,38);5-12,17H,4,13-16H2,1-3H3,(H,32,38)(H,29,30,31,33,34);5-7,14,34H,4,8-13H2,1-3H3,(H,28,35)(H,25,26,27,29,30);5-7,12,23H,4,8-11H2,1-3H3,(H,27,32)(H,24,25,26,28,29);7-9,12H,6,10-11H2,1-5H3,(H,27,32)(H2,23,24,25,26,28,29);5-7,10,29H,4,8-9H2,1-3H3,(H,25,30)(H2,21,22,23,24,26,27)
InChIKeyUVLGTIALOYUTLP-UHFFFAOYSA-N
XLogP20.32
TPSA688.19 Ų
H-Bond Donors17
H-Bond Acceptors55
Rotatable Bonds45
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002976.93
LogP ≤ 520.32
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1055

Analyze N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide with MolForge

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide
CID 157950669
N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide
CID 158918187
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
N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-cyanoethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 159038726
N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide
CID 160367075
2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide
CID 160654142
N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propylimidazole-4-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-4-carboxamide
CID 161115018
N-(2-chloro-4,6-dimethylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-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-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide;2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxamide
CID 161333114
N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide
CID 161937095
(7-benzyl-3-methyl-2,6-dioxopurin-1-yl)methyl 2,2-dimethylpropanoate;tert-butyl 4-[7-(2-chlorophenyl)-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-3-methylpurine-2,6-dione;[7-(2-chlorophenyl)-3-methyl-2,6-dioxopurin-1-yl]methyl 2,2-dimethylpropanoate;7-(2-chlorophenyl)-3-methyl-8-piperazin-1-ylpurine-2,6-dione;(3-methyl-2,6-dioxo-7H-purin-1-yl)methyl 2,2-dimethylpropanoate;2,2,2-trifluoroacetic acid
CID 162094741
N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-4-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-4-carboxamide
CID 162153398
7-Benzyl-3-methylpurine-2,6-dione;tert-butyl 4-[7-(2-chlorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-ethenylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid
CID 162214696

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide (CID 161204733) is N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide is CCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)n1.CCc1nc(NCCO)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(CCO)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(c3ccccc3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCNCC2)n1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide?
The InChIKey is UVLGTIALOYUTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClF3N9O.C27H30ClN9O.C23H30ClN9O2.C21H26ClN9O.C21H28ClN9O.C19H23ClN8O2/c1-4-22-34-25(37-26-33-16-21(39(26)3)24(42)36-23-17(2)7-5-10-20(23)29)38-27(35-22)41-13-11-40(12-14-41)19-9-6-8-18(15-19)28(30,31)32;1-4-22-30-25(34-27(31-22)37-15-13-36(14-16-37)19-10-6-5-7-11-19)33-26-29-17-21(35(26)3)24(38)32-23-18(2)9-8-12-20(23)28;1-4-18-26-21(30-23(27-18)33-10-8-32(9-11-33)12-13-34)29-22-25-14-17(31(22)3)20(35)28-19-15(2)6-5-7-16(19)24;1-4-16-25-19(29-21(26-16)31-10-8-23-9-11-31)28-20-24-12-15(30(20)3)18(32)27-17-13(2)6-5-7-14(17)22;1-6-16-25-19(23-10-11-30(3)4)28-20(26-16)29-21-24-12-15(31(21)5)18(32)27-17-13(2)8-7-9-14(17)22;1-4-14-23-17(21-8-9-29)26-18(24-14)27-19-22-10-13(28(19)3)16(30)25-15-11(2)6-5-7-12(15)20/h5-10,15-16H,4,11-14H2,1-3H3,(H,36,42)(H,33,34,35,37,38);5-12,17H,4,13-16H2,1-3H3,(H,32,38)(H,29,30,31,33,34);5-7,14,34H,4,8-13H2,1-3H3,(H,28,35)(H,25,26,27,29,30);5-7,12,23H,4,8-11H2,1-3H3,(H,27,32)(H,24,25,26,28,29);7-9,12H,6,10-11H2,1-5H3,(H,27,32)(H2,23,24,25,26,28,29);5-7,10,29H,4,8-9H2,1-3H3,(H,25,30)(H2,21,22,23,24,26,27).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide has a molecular weight of 2976.93 g/mol, XLogP of 20.32, 45 rotatable bonds, 17 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 161204733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).