3-[[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;3-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;6-[1-[benzyl(ethyl)amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine;6-[[benzyl(propan-2-yl)amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(1,3-dihydroisoindol-2-ylmethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

C160H179FN50O — CID 165002822

About 3-[[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;3-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;6-[1-[benzyl(ethyl)amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine;6-[[benzyl(propan-2-yl)amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(1,3-dihydroisoindol-2-ylmethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

3-[[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;3-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;6-[1-[benzyl(ethyl)amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine;6-[[benzyl(propan-2-yl)amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(1,3-dihydroisoindol-2-ylmethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 165002822) has the molecular formula C160H179FN50O and a molecular weight of 2837.54 g/mol. Its IUPAC name is 3-[[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;3-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;6-[1-[benzyl(ethyl)amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine;6-[[benzyl(propan-2-yl)amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(1,3-dihydroisoindol-2-ylmethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 3-[[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;3-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;6-[1-[benzyl(ethyl)amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine;6-[[benzyl(propan-2-yl)amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(1,3-dihydroisoindol-2-ylmethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 165002822
• Molecular Formula: C160H179FN50O
• Molecular Weight: 2837.54 g/mol
• Exact Mass: 2835.55
• IUPAC Name: 3-[[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;3-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;6-[1-[benzyl(ethyl)amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine;6-[[benzyl(propan-2-yl)amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(1,3-dihydroisoindol-2-ylmethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
• SMILES: CCN(Cc1ccccc1)C(C)c1nc(N)nc(Nc2ccccc2)n1.COc1ccccc1Nc1nc(N)nc(CN(C)Cc2cccc(C#N)c2)n1.Cc1ccc(Nc2nc(N)nc(CN(C)Cc3cccc(C#N)c3)n2)cc1.Cc1ccc(Nc2nc(N)nc(CN(Cc3ccc(F)cc3)C3CC3)n2)cc1.Cc1ccc(Nc2nc(N)nc(CN(Cc3ccccc3)C(C)C)n2)cc1.Cc1ccc(Nc2nc(N)nc(CN3CCCC3c3ccccc3)n2)cc1.Cc1ccc(Nc2nc(N)nc(CN3Cc4ccccc4C3)n2)cc1.Cc1ccccc1Nc1nc(N)nc(CN(C)c2ccccc2)n1
• InChI: InChI=1S/C21H23FN6.C21H24N6.C21H26N6.C20H21N7O.C20H21N7.C20H24N6.C19H20N6.C18H20N6/c1-14-2-8-17(9-3-14)24-21-26-19(25-20(23)27-21)13-28(18-10-11-18)12-15-4-6-16(22)7-5-15;1-15-9-11-17(12-10-15)23-21-25-19(24-20(22)26-21)14-27-13-5-8-18(27)16-6-3-2-4-7-16;1-15(2)27(13-17-7-5-4-6-8-17)14-19-24-20(22)26-21(25-19)23-18-11-9-16(3)10-12-18;1-27(12-15-7-5-6-14(10-15)11-21)13-18-24-19(22)26-20(25-18)23-16-8-3-4-9-17(16)28-2;1-14-6-8-17(9-7-14)23-20-25-18(24-19(22)26-20)13-27(2)12-16-5-3-4-15(10-16)11-21;1-3-26(14-16-10-6-4-7-11-16)15(2)18-23-19(21)25-20(24-18)22-17-12-8-5-9-13-17;1-13-6-8-16(9-7-13)21-19-23-17(22-18(20)24-19)12-25-10-14-4-2-3-5-15(14)11-25;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/h2-9,18H,10-13H2,1H3,(H3,23,24,25,26,27);2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H3,22,23,24,25,26);4-12,15H,13-14H2,1-3H3,(H3,22,23,24,25,26);3-10H,12-13H2,1-2H3,(H3,22,23,24,25,26);3-10H,12-13H2,1-2H3,(H3,22,23,24,25,26);4-13,15H,3,14H2,1-2H3,(H3,21,22,23,24,25);2-9H,10-12H2,1H3,(H3,20,21,22,23,24);3-11H,12H2,1-2H3,(H3,19,20,21,22,23)
• InChIKey: IMWKGTFOYMJQER-UHFFFAOYSA-N
• XLogP: 27.23
• TPSA: 696.49 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 51
• Rotatable Bonds: 48
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2837.54
LogP ≤ 5	27.23
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;3-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;6-[1-[benzyl(ethyl)amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine;6-[[benzyl(propan-2-yl)amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(1,3-dihydroisoindol-2-ylmethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 3-[[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;3-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;6-[1-[benzyl(ethyl)amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine;6-[[benzyl(propan-2-yl)amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(1,3-dihydroisoindol-2-ylmethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 165002822) is 3-[[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;3-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;6-[1-[benzyl(ethyl)amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine;6-[[benzyl(propan-2-yl)amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(1,3-dihydroisoindol-2-ylmethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 3-[[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;3-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;6-[1-[benzyl(ethyl)amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine;6-[[benzyl(propan-2-yl)amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(1,3-dihydroisoindol-2-ylmethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 3-[[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;3-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;6-[1-[benzyl(ethyl)amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine;6-[[benzyl(propan-2-yl)amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(1,3-dihydroisoindol-2-ylmethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine is CCN(Cc1ccccc1)C(C)c1nc(N)nc(Nc2ccccc2)n1.COc1ccccc1Nc1nc(N)nc(CN(C)Cc2cccc(C#N)c2)n1.Cc1ccc(Nc2nc(N)nc(CN(C)Cc3cccc(C#N)c3)n2)cc1.Cc1ccc(Nc2nc(N)nc(CN(Cc3ccc(F)cc3)C3CC3)n2)cc1.Cc1ccc(Nc2nc(N)nc(CN(Cc3ccccc3)C(C)C)n2)cc1.Cc1ccc(Nc2nc(N)nc(CN3CCCC3c3ccccc3)n2)cc1.Cc1ccc(Nc2nc(N)nc(CN3Cc4ccccc4C3)n2)cc1.Cc1ccccc1Nc1nc(N)nc(CN(C)c2ccccc2)n1.

What is the InChIKey of 3-[[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;3-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;6-[1-[benzyl(ethyl)amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine;6-[[benzyl(propan-2-yl)amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(1,3-dihydroisoindol-2-ylmethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is IMWKGTFOYMJQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6.C21H24N6.C21H26N6.C20H21N7O.C20H21N7.C20H24N6.C19H20N6.C18H20N6/c1-14-2-8-17(9-3-14)24-21-26-19(25-20(23)27-21)13-28(18-10-11-18)12-15-4-6-16(22)7-5-15;1-15-9-11-17(12-10-15)23-21-25-19(24-20(22)26-21)14-27-13-5-8-18(27)16-6-3-2-4-7-16;1-15(2)27(13-17-7-5-4-6-8-17)14-19-24-20(22)26-21(25-19)23-18-11-9-16(3)10-12-18;1-27(12-15-7-5-6-14(10-15)11-21)13-18-24-19(22)26-20(25-18)23-16-8-3-4-9-17(16)28-2;1-14-6-8-17(9-7-14)23-20-25-18(24-19(22)26-20)13-27(2)12-16-5-3-4-15(10-16)11-21;1-3-26(14-16-10-6-4-7-11-16)15(2)18-23-19(21)25-20(24-18)22-17-12-8-5-9-13-17;1-13-6-8-16(9-7-13)21-19-23-17(22-18(20)24-19)12-25-10-14-4-2-3-5-15(14)11-25;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/h2-9,18H,10-13H2,1H3,(H3,23,24,25,26,27);2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H3,22,23,24,25,26);4-12,15H,13-14H2,1-3H3,(H3,22,23,24,25,26);3-10H,12-13H2,1-2H3,(H3,22,23,24,25,26);3-10H,12-13H2,1-2H3,(H3,22,23,24,25,26);4-13,15H,3,14H2,1-2H3,(H3,21,22,23,24,25);2-9H,10-12H2,1H3,(H3,20,21,22,23,24);3-11H,12H2,1-2H3,(H3,19,20,21,22,23).

What are the key properties of 3-[[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;3-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;6-[1-[benzyl(ethyl)amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine;6-[[benzyl(propan-2-yl)amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(1,3-dihydroisoindol-2-ylmethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?

3-[[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;3-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;6-[1-[benzyl(ethyl)amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine;6-[[benzyl(propan-2-yl)amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(1,3-dihydroisoindol-2-ylmethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2837.54 g/mol, XLogP of 27.23, 48 rotatable bonds, 16 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;3-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]benzonitrile;6-[1-[benzyl(ethyl)amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine;6-[[benzyl(propan-2-yl)amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(1,3-dihydroisoindol-2-ylmethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 165002822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).