2-N-[2-[[2-[(4-amino-6-benzyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-benzyl-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine

C92H76IN31S6 — CID 161206447

About 2-N-[2-[[2-[(4-amino-6-benzyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-benzyl-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine

2-N-[2-[[2-[(4-amino-6-benzyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-benzyl-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 161206447) has the molecular formula C92H76IN31S6 and a molecular weight of 1935.14 g/mol. Its IUPAC name is 2-N-[2-[[2-[(4-amino-6-benzyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-benzyl-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[2-[[2-[(4-amino-6-benzyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-benzyl-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine
• PubChem CID: 161206447
• Molecular Formula: C92H76IN31S6
• Molecular Weight: 1935.14 g/mol
• Exact Mass: 1933.43
• IUPAC Name: 2-N-[2-[[2-[(4-amino-6-benzyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-benzyl-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine
• SMILES: Cc1ccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4ccc(I)cc4)n3)n2)cc1.Nc1nc(Cc2ccccc2)nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(Cc3ccccc3)n2)n1.Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccncc3)n2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C32H28N10S2.C31H25IN10S2.C29H23N11S2/c33-29-37-27(19-21-11-3-1-4-12-21)39-31(41-29)35-23-15-7-9-17-25(23)43-44-26-18-10-8-16-24(26)36-32-40-28(38-30(34)42-32)20-22-13-5-2-6-14-22;1-18-10-12-19(13-11-18)26-37-28(33)41-30(39-26)35-22-6-2-4-8-24(22)43-44-25-9-5-3-7-23(25)36-31-40-27(38-29(34)42-31)20-14-16-21(32)17-15-20;30-26-35-24(18-8-2-1-3-9-18)37-28(39-26)33-20-10-4-6-12-22(20)41-42-23-13-7-5-11-21(23)34-29-38-25(36-27(31)40-29)19-14-16-32-17-15-19/h1-18H,19-20H2,(H3,33,35,37,39,41)(H3,34,36,38,40,42);2-17H,1H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42);1-17H,(H3,30,33,35,37,39)(H3,31,34,36,38,40)
• InChIKey: UVQVZSRUDIHYOV-UHFFFAOYSA-N
• XLogP: 20.68
• TPSA: 473.21 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 29
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1935.14
LogP ≤ 5	20.68
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[[2-[(4-amino-6-benzyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-benzyl-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-[2-[[2-[(4-amino-6-benzyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-benzyl-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine (CID 161206447) is 2-N-[2-[[2-[(4-amino-6-benzyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-benzyl-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N-[2-[[2-[(4-amino-6-benzyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-benzyl-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N-[2-[[2-[(4-amino-6-benzyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-benzyl-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine is Cc1ccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4ccc(I)cc4)n3)n2)cc1.Nc1nc(Cc2ccccc2)nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(Cc3ccccc3)n2)n1.Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccncc3)n2)nc(-c2ccccc2)n1.

What is the InChIKey of 2-N-[2-[[2-[(4-amino-6-benzyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-benzyl-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine?

The InChIKey is UVQVZSRUDIHYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N10S2.C31H25IN10S2.C29H23N11S2/c33-29-37-27(19-21-11-3-1-4-12-21)39-31(41-29)35-23-15-7-9-17-25(23)43-44-26-18-10-8-16-24(26)36-32-40-28(38-30(34)42-32)20-22-13-5-2-6-14-22;1-18-10-12-19(13-11-18)26-37-28(33)41-30(39-26)35-22-6-2-4-8-24(22)43-44-25-9-5-3-7-23(25)36-31-40-27(38-29(34)42-31)20-14-16-21(32)17-15-20;30-26-35-24(18-8-2-1-3-9-18)37-28(39-26)33-20-10-4-6-12-22(20)41-42-23-13-7-5-11-21(23)34-29-38-25(36-27(31)40-29)19-14-16-32-17-15-19/h1-18H,19-20H2,(H3,33,35,37,39,41)(H3,34,36,38,40,42);2-17H,1H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42);1-17H,(H3,30,33,35,37,39)(H3,31,34,36,38,40).

What are the key properties of 2-N-[2-[[2-[(4-amino-6-benzyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-benzyl-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine?

2-N-[2-[[2-[(4-amino-6-benzyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-benzyl-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 1935.14 g/mol, XLogP of 20.68, 29 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[2-[[2-[(4-amino-6-benzyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-benzyl-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 161206447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).