2-N-benzyl-6-[(4-benzylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine;2-N-benzyl-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine;6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine;6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;methane;2-N-(2-methoxyphenyl)-6-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

C155H195Cl2FN46O5 — CID 161205342

About 2-N-benzyl-6-[(4-benzylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine;2-N-benzyl-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine;6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine;6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;methane;2-N-(2-methoxyphenyl)-6-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

2-N-benzyl-6-[(4-benzylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine;2-N-benzyl-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine;6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine;6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;methane;2-N-(2-methoxyphenyl)-6-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 161205342) has the molecular formula C155H195Cl2FN46O5 and a molecular weight of 2872.49 g/mol. Its IUPAC name is 2-N-benzyl-6-[(4-benzylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine;2-N-benzyl-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine;6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine;6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;methane;2-N-(2-methoxyphenyl)-6-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-benzyl-6-[(4-benzylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine;2-N-benzyl-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine;6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine;6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;methane;2-N-(2-methoxyphenyl)-6-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 161205342
• Molecular Formula: C155H195Cl2FN46O5
• Molecular Weight: 2872.49 g/mol
• Exact Mass: 2869.58
• IUPAC Name: 2-N-benzyl-6-[(4-benzylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine;2-N-benzyl-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine;6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine;6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;methane;2-N-(2-methoxyphenyl)-6-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
• SMILES: C.C.C.C.C.C.COc1cccc(N2CCN(Cc3nc(N)nc(NCc4ccccc4)n3)CC2)c1.COc1ccccc1Nc1nc(N)nc(CN(C)Cc2ccc3ccccc3c2)n1.Cc1ccc(CNc2nc(N)nc(CN3CCN(c4ccc(F)cc4)CC3)n2)cc1.Cc1ccc(Nc2nc(N)nc(CN(C)CCOc3ccc(Cl)cc3)n2)cc1.Cc1ccccc1Nc1nc(N)nc(CN(C)c2ccccc2)n1.Nc1nc(CN2CCN(Cc3ccccc3)CC2)nc(NCc2ccccc2)n1.Nc1nc(CN2CCN(c3cccc(Cl)c3)CC2)nc(Nc2ccc3c(c2)OCCO3)n1
• InChI: InChI=1S/C23H24N6O.C22H24ClN7O2.C22H26FN7.C22H27N7O.C22H27N7.C20H23ClN6O.C18H20N6.6CH4/c1-29(14-16-11-12-17-7-3-4-8-18(17)13-16)15-21-26-22(24)28-23(27-21)25-19-9-5-6-10-20(19)30-2;23-15-2-1-3-17(12-15)30-8-6-29(7-9-30)14-20-26-21(24)28-22(27-20)25-16-4-5-18-19(13-16)32-11-10-31-18;1-16-2-4-17(5-3-16)14-25-22-27-20(26-21(24)28-22)15-29-10-12-30(13-11-29)19-8-6-18(23)7-9-19;1-30-19-9-5-8-18(14-19)29-12-10-28(11-13-29)16-20-25-21(23)27-22(26-20)24-15-17-6-3-2-4-7-17;23-21-25-20(26-22(27-21)24-15-18-7-3-1-4-8-18)17-29-13-11-28(12-14-29)16-19-9-5-2-6-10-19;1-14-3-7-16(8-4-14)23-20-25-18(24-19(22)26-20)13-27(2)11-12-28-17-9-5-15(21)6-10-17;1-13-8-6-7-11-15(13)20-18-22-16(21-17(19)23-18)12-24(2)14-9-4-3-5-10-14;;;;;;/h3-13H,14-15H2,1-2H3,(H3,24,25,26,27,28);1-5,12-13H,6-11,14H2,(H3,24,25,26,27,28);2-9H,10-15H2,1H3,(H3,24,25,26,27,28);2-9,14H,10-13,15-16H2,1H3,(H3,23,24,25,26,27);1-10H,11-17H2,(H3,23,24,25,26,27);3-10H,11-13H2,1-2H3,(H3,22,23,24,25,26);3-11H,12H2,1-2H3,(H3,19,20,21,22,23);6*1H4
• InChIKey: UVNFHHLEQLPEBM-UHFFFAOYSA-N
• XLogP: 25.18
• TPSA: 618.83 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 51
• Rotatable Bonds: 45
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2872.49
LogP ≤ 5	25.18
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-[(4-benzylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine;2-N-benzyl-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine;6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine;6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;methane;2-N-(2-methoxyphenyl)-6-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-benzyl-6-[(4-benzylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine;2-N-benzyl-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine;6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine;6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;methane;2-N-(2-methoxyphenyl)-6-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 161205342) is 2-N-benzyl-6-[(4-benzylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine;2-N-benzyl-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine;6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine;6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;methane;2-N-(2-methoxyphenyl)-6-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N-benzyl-6-[(4-benzylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine;2-N-benzyl-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine;6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine;6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;methane;2-N-(2-methoxyphenyl)-6-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N-benzyl-6-[(4-benzylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine;2-N-benzyl-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine;6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine;6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;methane;2-N-(2-methoxyphenyl)-6-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is C.C.C.C.C.C.COc1cccc(N2CCN(Cc3nc(N)nc(NCc4ccccc4)n3)CC2)c1.COc1ccccc1Nc1nc(N)nc(CN(C)Cc2ccc3ccccc3c2)n1.Cc1ccc(CNc2nc(N)nc(CN3CCN(c4ccc(F)cc4)CC3)n2)cc1.Cc1ccc(Nc2nc(N)nc(CN(C)CCOc3ccc(Cl)cc3)n2)cc1.Cc1ccccc1Nc1nc(N)nc(CN(C)c2ccccc2)n1.Nc1nc(CN2CCN(Cc3ccccc3)CC2)nc(NCc2ccccc2)n1.Nc1nc(CN2CCN(c3cccc(Cl)c3)CC2)nc(Nc2ccc3c(c2)OCCO3)n1.

What is the InChIKey of 2-N-benzyl-6-[(4-benzylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine;2-N-benzyl-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine;6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine;6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;methane;2-N-(2-methoxyphenyl)-6-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?

The InChIKey is UVNFHHLEQLPEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O.C22H24ClN7O2.C22H26FN7.C22H27N7O.C22H27N7.C20H23ClN6O.C18H20N6.6CH4/c1-29(14-16-11-12-17-7-3-4-8-18(17)13-16)15-21-26-22(24)28-23(27-21)25-19-9-5-6-10-20(19)30-2;23-15-2-1-3-17(12-15)30-8-6-29(7-9-30)14-20-26-21(24)28-22(27-20)25-16-4-5-18-19(13-16)32-11-10-31-18;1-16-2-4-17(5-3-16)14-25-22-27-20(26-21(24)28-22)15-29-10-12-30(13-11-29)19-8-6-18(23)7-9-19;1-30-19-9-5-8-18(14-19)29-12-10-28(11-13-29)16-20-25-21(23)27-22(26-20)24-15-17-6-3-2-4-7-17;23-21-25-20(26-22(27-21)24-15-18-7-3-1-4-8-18)17-29-13-11-28(12-14-29)16-19-9-5-2-6-10-19;1-14-3-7-16(8-4-14)23-20-25-18(24-19(22)26-20)13-27(2)11-12-28-17-9-5-15(21)6-10-17;1-13-8-6-7-11-15(13)20-18-22-16(21-17(19)23-18)12-24(2)14-9-4-3-5-10-14;;;;;;/h3-13H,14-15H2,1-2H3,(H3,24,25,26,27,28);1-5,12-13H,6-11,14H2,(H3,24,25,26,27,28);2-9H,10-15H2,1H3,(H3,24,25,26,27,28);2-9,14H,10-13,15-16H2,1H3,(H3,23,24,25,26,27);1-10H,11-17H2,(H3,23,24,25,26,27);3-10H,11-13H2,1-2H3,(H3,22,23,24,25,26);3-11H,12H2,1-2H3,(H3,19,20,21,22,23);6*1H4.

What are the key properties of 2-N-benzyl-6-[(4-benzylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine;2-N-benzyl-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine;6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine;6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;methane;2-N-(2-methoxyphenyl)-6-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?

2-N-benzyl-6-[(4-benzylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine;2-N-benzyl-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine;6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine;6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;methane;2-N-(2-methoxyphenyl)-6-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 2872.49 g/mol, XLogP of 25.18, 45 rotatable bonds, 14 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-benzyl-6-[(4-benzylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine;2-N-benzyl-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine;6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazine-2,4-diamine;6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;methane;2-N-(2-methoxyphenyl)-6-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 161205342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).