2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-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-methylpiperazin-1-yl)-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-pyrrolidin-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

C174H203F3N62O18 — CID 160897945

IUPAC2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-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-methylpiperazin-1-yl)-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-pyrrolidin-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
SMILESCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.Cc1nc(NCCO)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCCC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3ccccc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCNCC2)n1
InChIInChI=1S/C27H27F3N8O2.C26H28N8O2.C22H28N8O3.C21H26N8O2.C20H24N8O2.C20H26N8O2.C20H23N7O2.C18H21N7O3/c1-16-6-4-7-17(2)22(16)34-23(39)21-15-31-26(40-21)36-24-32-18(3)33-25(35-24)38-12-10-37(11-13-38)20-9-5-8-19(14-20)27(28,29)30;1-17-8-7-9-18(2)22(17)30-23(35)21-16-27-26(36-21)32-24-28-19(3)29-25(31-24)34-14-12-33(13-15-34)20-10-5-4-6-11-20;1-14-5-4-6-15(2)18(14)26-19(32)17-13-23-22(33-17)28-20-24-16(3)25-21(27-20)30-9-7-29(8-10-30)11-12-31;1-13-6-5-7-14(2)17(13)25-18(30)16-12-22-21(31-16)27-19-23-15(3)24-20(26-19)29-10-8-28(4)9-11-29;1-12-5-4-6-13(2)16(12)25-17(29)15-11-22-20(30-15)27-18-23-14(3)24-19(26-18)28-9-7-21-8-10-28;1-12-7-6-8-13(2)16(12)25-17(29)15-11-22-20(30-15)27-19-24-14(3)23-18(26-19)21-9-10-28(4)5;1-12-7-6-8-13(2)16(12)24-17(28)15-11-21-20(29-15)26-18-22-14(3)23-19(25-18)27-9-4-5-10-27;1-10-5-4-6-11(2)14(10)23-15(27)13-9-20-18(28-13)25-17-22-12(3)21-16(24-17)19-7-8-26/h4-9,14-15H,10-13H2,1-3H3,(H,34,39)(H,31,32,33,35,36);4-11,16H,12-15H2,1-3H3,(H,30,35)(H,27,28,29,31,32);4-6,13,31H,7-12H2,1-3H3,(H,26,32)(H,23,24,25,27,28);5-7,12H,8-11H2,1-4H3,(H,25,30)(H,22,23,24,26,27);4-6,11,21H,7-10H2,1-3H3,(H,25,29)(H,22,23,24,26,27);6-8,11H,9-10H2,1-5H3,(H,25,29)(H2,21,22,23,24,26,27);6-8,11H,4-5,9-10H2,1-3H3,(H,24,28)(H,21,22,23,25,26);4-6,9,26H,7-8H2,1-3H3,(H,23,27)(H2,19,20,21,22,24,25)
InChIKeySPCUYPPLCIQSQP-UHFFFAOYSA-N
MW3507.95 g/mol
LogP24.17
Rot. Bonds49

About 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-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-methylpiperazin-1-yl)-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-pyrrolidin-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

2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-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-methylpiperazin-1-yl)-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-pyrrolidin-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 (PubChem CID 160897945) has the molecular formula C174H203F3N62O18 and a molecular weight of 3507.95 g/mol. Its IUPAC name is 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-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-methylpiperazin-1-yl)-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-pyrrolidin-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.

Molecular Properties

Compound Name2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-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-methylpiperazin-1-yl)-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-pyrrolidin-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
PubChem CID160897945
Molecular FormulaC174H203F3N62O18
Molecular Weight3507.95 g/mol
Exact Mass3505.68
IUPAC Name2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-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-methylpiperazin-1-yl)-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-pyrrolidin-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
SMILESCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.Cc1nc(NCCO)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCCC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3ccccc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCNCC2)n1
InChIInChI=1S/C27H27F3N8O2.C26H28N8O2.C22H28N8O3.C21H26N8O2.C20H24N8O2.C20H26N8O2.C20H23N7O2.C18H21N7O3/c1-16-6-4-7-17(2)22(16)34-23(39)21-15-31-26(40-21)36-24-32-18(3)33-25(35-24)38-12-10-37(11-13-38)20-9-5-8-19(14-20)27(28,29)30;1-17-8-7-9-18(2)22(17)30-23(35)21-16-27-26(36-21)32-24-28-19(3)29-25(31-24)34-14-12-33(13-15-34)20-10-5-4-6-11-20;1-14-5-4-6-15(2)18(14)26-19(32)17-13-23-22(33-17)28-20-24-16(3)25-21(27-20)30-9-7-29(8-10-30)11-12-31;1-13-6-5-7-14(2)17(13)25-18(30)16-12-22-21(31-16)27-19-23-15(3)24-20(26-19)29-10-8-28(4)9-11-29;1-12-5-4-6-13(2)16(12)25-17(29)15-11-22-20(30-15)27-18-23-14(3)24-19(26-18)28-9-7-21-8-10-28;1-12-7-6-8-13(2)16(12)25-17(29)15-11-22-20(30-15)27-19-24-14(3)23-18(26-19)21-9-10-28(4)5;1-12-7-6-8-13(2)16(12)24-17(28)15-11-21-20(29-15)26-18-22-14(3)23-19(25-18)27-9-4-5-10-27;1-10-5-4-6-11(2)14(10)23-15(27)13-9-20-18(28-13)25-17-22-12(3)21-16(24-17)19-7-8-26/h4-9,14-15H,10-13H2,1-3H3,(H,34,39)(H,31,32,33,35,36);4-11,16H,12-15H2,1-3H3,(H,30,35)(H,27,28,29,31,32);4-6,13,31H,7-12H2,1-3H3,(H,26,32)(H,23,24,25,27,28);5-7,12H,8-11H2,1-4H3,(H,25,30)(H,22,23,24,26,27);4-6,11,21H,7-10H2,1-3H3,(H,25,29)(H,22,23,24,26,27);6-8,11H,9-10H2,1-5H3,(H,25,29)(H2,21,22,23,24,26,27);6-8,11H,4-5,9-10H2,1-3H3,(H,24,28)(H,21,22,23,25,26);4-6,9,26H,7-8H2,1-3H3,(H,23,27)(H2,19,20,21,22,24,25)
InChIKeySPCUYPPLCIQSQP-UHFFFAOYSA-N
XLogP24.17
TPSA958.83 Ų
H-Bond Donors21
H-Bond Acceptors72
Rotatable Bonds49
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003507.95
LogP ≤ 524.17
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1072

Analyze 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-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-methylpiperazin-1-yl)-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-pyrrolidin-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-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-methylpiperazin-1-yl)-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-pyrrolidin-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?
The IUPAC name of 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-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-methylpiperazin-1-yl)-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-pyrrolidin-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 160897945) is 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-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-methylpiperazin-1-yl)-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-pyrrolidin-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.
What is the SMILES notation for 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-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-methylpiperazin-1-yl)-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-pyrrolidin-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?
The canonical SMILES for 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-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-methylpiperazin-1-yl)-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-pyrrolidin-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 is Cc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.Cc1nc(NCCO)nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCCC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCN(c3ccccc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)o2)nc(N2CCNCC2)n1.
What is the InChIKey of 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-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-methylpiperazin-1-yl)-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-pyrrolidin-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?
The InChIKey is SPCUYPPLCIQSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N8O2.C26H28N8O2.C22H28N8O3.C21H26N8O2.C20H24N8O2.C20H26N8O2.C20H23N7O2.C18H21N7O3/c1-16-6-4-7-17(2)22(16)34-23(39)21-15-31-26(40-21)36-24-32-18(3)33-25(35-24)38-12-10-37(11-13-38)20-9-5-8-19(14-20)27(28,29)30;1-17-8-7-9-18(2)22(17)30-23(35)21-16-27-26(36-21)32-24-28-19(3)29-25(31-24)34-14-12-33(13-15-34)20-10-5-4-6-11-20;1-14-5-4-6-15(2)18(14)26-19(32)17-13-23-22(33-17)28-20-24-16(3)25-21(27-20)30-9-7-29(8-10-30)11-12-31;1-13-6-5-7-14(2)17(13)25-18(30)16-12-22-21(31-16)27-19-23-15(3)24-20(26-19)29-10-8-28(4)9-11-29;1-12-5-4-6-13(2)16(12)25-17(29)15-11-22-20(30-15)27-18-23-14(3)24-19(26-18)28-9-7-21-8-10-28;1-12-7-6-8-13(2)16(12)25-17(29)15-11-22-20(30-15)27-19-24-14(3)23-18(26-19)21-9-10-28(4)5;1-12-7-6-8-13(2)16(12)24-17(28)15-11-21-20(29-15)26-18-22-14(3)23-19(25-18)27-9-4-5-10-27;1-10-5-4-6-11(2)14(10)23-15(27)13-9-20-18(28-13)25-17-22-12(3)21-16(24-17)19-7-8-26/h4-9,14-15H,10-13H2,1-3H3,(H,34,39)(H,31,32,33,35,36);4-11,16H,12-15H2,1-3H3,(H,30,35)(H,27,28,29,31,32);4-6,13,31H,7-12H2,1-3H3,(H,26,32)(H,23,24,25,27,28);5-7,12H,8-11H2,1-4H3,(H,25,30)(H,22,23,24,26,27);4-6,11,21H,7-10H2,1-3H3,(H,25,29)(H,22,23,24,26,27);6-8,11H,9-10H2,1-5H3,(H,25,29)(H2,21,22,23,24,26,27);6-8,11H,4-5,9-10H2,1-3H3,(H,24,28)(H,21,22,23,25,26);4-6,9,26H,7-8H2,1-3H3,(H,23,27)(H2,19,20,21,22,24,25).
What are the key properties of 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-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-methylpiperazin-1-yl)-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-pyrrolidin-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?
2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-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-methylpiperazin-1-yl)-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-pyrrolidin-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 has a molecular weight of 3507.95 g/mol, XLogP of 24.17, 49 rotatable bonds, 21 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-oxazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-(2-hydroxyethylamino)-6-methyl-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-methylpiperazin-1-yl)-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-pyrrolidin-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 is sourced from PubChem (CID 160897945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).