N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide

C141H171Cl7N60O10 — CID 162168142

IUPACN-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide
SMILESCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)n1.Cc1nc(NCCO)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCCC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCNCC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCOCC2)n1
InChIInChI=1S/C22H28ClN9O2.C21H26ClN9O.C20H24ClN9O.C20H26ClN9O.C20H23ClN8O2.C20H23ClN8O.C18H21ClN8O2/c1-14-5-4-6-16(23)18(14)27-19(34)17-13-24-21(30(17)3)28-20-25-15(2)26-22(29-20)32-9-7-31(8-10-32)11-12-33;1-13-6-5-7-15(22)17(13)26-18(32)16-12-23-20(30(16)4)27-19-24-14(2)25-21(28-19)31-10-8-29(3)9-11-31;1-12-5-4-6-14(21)16(12)26-17(31)15-11-23-19(29(15)3)27-18-24-13(2)25-20(28-18)30-9-7-22-8-10-30;1-12-7-6-8-14(21)16(12)26-17(31)15-11-23-20(30(15)5)28-19-25-13(2)24-18(27-19)22-9-10-29(3)4;1-12-5-4-6-14(21)16(12)25-17(30)15-11-22-19(28(15)3)26-18-23-13(2)24-20(27-18)29-7-9-31-10-8-29;1-12-7-6-8-14(21)16(12)25-17(30)15-11-22-19(28(15)3)26-18-23-13(2)24-20(27-18)29-9-4-5-10-29;1-10-5-4-6-12(19)14(10)24-15(29)13-9-21-18(27(13)3)26-17-23-11(2)22-16(25-17)20-7-8-28/h4-6,13,33H,7-12H2,1-3H3,(H,27,34)(H,24,25,26,28,29);5-7,12H,8-11H2,1-4H3,(H,26,32)(H,23,24,25,27,28);4-6,11,22H,7-10H2,1-3H3,(H,26,31)(H,23,24,25,27,28);6-8,11H,9-10H2,1-5H3,(H,26,31)(H2,22,23,24,25,27,28);4-6,11H,7-10H2,1-3H3,(H,25,30)(H,22,23,24,26,27);6-8,11H,4-5,9-10H2,1-3H3,(H,25,30)(H,22,23,24,26,27);4-6,9,28H,7-8H2,1-3H3,(H,24,29)(H2,20,21,22,23,25,26)
InChIKeyZNKOCFSPKHKASL-UHFFFAOYSA-N
MW3114.50 g/mol
LogP18.19
Rot. Bonds42

About N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide (PubChem CID 162168142) has the molecular formula C141H171Cl7N60O10 and a molecular weight of 3114.50 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide
PubChem CID162168142
Molecular FormulaC141H171Cl7N60O10
Molecular Weight3114.50 g/mol
Exact Mass3109.25
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide
SMILESCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)n1.Cc1nc(NCCO)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCCC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCNCC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCOCC2)n1
InChIInChI=1S/C22H28ClN9O2.C21H26ClN9O.C20H24ClN9O.C20H26ClN9O.C20H23ClN8O2.C20H23ClN8O.C18H21ClN8O2/c1-14-5-4-6-16(23)18(14)27-19(34)17-13-24-21(30(17)3)28-20-25-15(2)26-22(29-20)32-9-7-31(8-10-32)11-12-33;1-13-6-5-7-15(22)17(13)26-18(32)16-12-23-20(30(16)4)27-19-24-14(2)25-21(28-19)31-10-8-29(3)9-11-31;1-12-5-4-6-14(21)16(12)26-17(31)15-11-23-19(29(15)3)27-18-24-13(2)25-20(28-18)30-9-7-22-8-10-30;1-12-7-6-8-14(21)16(12)26-17(31)15-11-23-20(30(15)5)28-19-25-13(2)24-18(27-19)22-9-10-29(3)4;1-12-5-4-6-14(21)16(12)25-17(30)15-11-22-19(28(15)3)26-18-23-13(2)24-20(27-18)29-7-9-31-10-8-29;1-12-7-6-8-14(21)16(12)25-17(30)15-11-22-19(28(15)3)26-18-23-13(2)24-20(27-18)29-9-4-5-10-29;1-10-5-4-6-12(19)14(10)24-15(29)13-9-21-18(27(13)3)26-17-23-11(2)22-16(25-17)20-7-8-28/h4-6,13,33H,7-12H2,1-3H3,(H,27,34)(H,24,25,26,28,29);5-7,12H,8-11H2,1-4H3,(H,26,32)(H,23,24,25,27,28);4-6,11,22H,7-10H2,1-3H3,(H,26,31)(H,23,24,25,27,28);6-8,11H,9-10H2,1-5H3,(H,26,31)(H2,22,23,24,25,27,28);4-6,11H,7-10H2,1-3H3,(H,25,30)(H,22,23,24,26,27);6-8,11H,4-5,9-10H2,1-3H3,(H,25,30)(H,22,23,24,26,27);4-6,9,28H,7-8H2,1-3H3,(H,24,29)(H2,20,21,22,23,25,26)
InChIKeyZNKOCFSPKHKASL-UHFFFAOYSA-N
XLogP18.19
TPSA795.04 Ų
H-Bond Donors19
H-Bond Acceptors63
Rotatable Bonds42
Heavy Atoms218
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003114.50
LogP ≤ 518.19
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1063

Analyze N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide (CID 162168142) is N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide is Cc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)n1.Cc1nc(NCCO)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCCC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCNCC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCOCC2)n1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide?
The InChIKey is ZNKOCFSPKHKASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN9O2.C21H26ClN9O.C20H24ClN9O.C20H26ClN9O.C20H23ClN8O2.C20H23ClN8O.C18H21ClN8O2/c1-14-5-4-6-16(23)18(14)27-19(34)17-13-24-21(30(17)3)28-20-25-15(2)26-22(29-20)32-9-7-31(8-10-32)11-12-33;1-13-6-5-7-15(22)17(13)26-18(32)16-12-23-20(30(16)4)27-19-24-14(2)25-21(28-19)31-10-8-29(3)9-11-31;1-12-5-4-6-14(21)16(12)26-17(31)15-11-23-19(29(15)3)27-18-24-13(2)25-20(28-18)30-9-7-22-8-10-30;1-12-7-6-8-14(21)16(12)26-17(31)15-11-23-20(30(15)5)28-19-25-13(2)24-18(27-19)22-9-10-29(3)4;1-12-5-4-6-14(21)16(12)25-17(30)15-11-22-19(28(15)3)26-18-23-13(2)24-20(27-18)29-7-9-31-10-8-29;1-12-7-6-8-14(21)16(12)25-17(30)15-11-22-19(28(15)3)26-18-23-13(2)24-20(27-18)29-9-4-5-10-29;1-10-5-4-6-12(19)14(10)24-15(29)13-9-21-18(27(13)3)26-17-23-11(2)22-16(25-17)20-7-8-28/h4-6,13,33H,7-12H2,1-3H3,(H,27,34)(H,24,25,26,28,29);5-7,12H,8-11H2,1-4H3,(H,26,32)(H,23,24,25,27,28);4-6,11,22H,7-10H2,1-3H3,(H,26,31)(H,23,24,25,27,28);6-8,11H,9-10H2,1-5H3,(H,26,31)(H2,22,23,24,25,27,28);4-6,11H,7-10H2,1-3H3,(H,25,30)(H,22,23,24,26,27);6-8,11H,4-5,9-10H2,1-3H3,(H,25,30)(H,22,23,24,26,27);4-6,9,28H,7-8H2,1-3H3,(H,24,29)(H2,20,21,22,23,25,26).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide has a molecular weight of 3114.50 g/mol, XLogP of 18.19, 42 rotatable bonds, 19 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]imidazole-4-carboxamide is sourced from PubChem (CID 162168142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).