2-N-[2-[[2-[[4-amino-6-(5-iodo-2-pyridinyl)-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-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

C93H74ClF3IN31S6 — CID 157318223

About 2-N-[2-[[2-[[4-amino-6-(5-iodo-2-pyridinyl)-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-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-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-(5-iodo-2-pyridinyl)-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-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 157318223) has the molecular formula C93H74ClF3IN31S6 and a molecular weight of 2037.58 g/mol. Its IUPAC name is 2-N-[2-[[2-[[4-amino-6-(5-iodo-2-pyridinyl)-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-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[2-[[2-[[4-amino-6-(5-iodo-2-pyridinyl)-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-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 157318223
• Molecular Formula: C93H74ClF3IN31S6
• Molecular Weight: 2037.58 g/mol
• Exact Mass: 2035.38
• IUPAC Name: 2-N-[2-[[2-[[4-amino-6-(5-iodo-2-pyridinyl)-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-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
• SMILES: Cc1ccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4ccc(C(F)(F)F)cc4)n3)n2)cc1.Cc1ccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4ccc(I)cn4)n3)n2)cc1.Cc1cccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4cccc(Cl)c4)n3)n2)c1
• InChI: InChI=1S/C32H25F3N10S2.C31H25ClN10S2.C30H24IN11S2/c1-18-10-12-19(13-11-18)26-40-28(36)44-30(42-26)38-22-6-2-4-8-24(22)46-47-25-9-5-3-7-23(25)39-31-43-27(41-29(37)45-31)20-14-16-21(17-15-20)32(33,34)35;1-18-8-6-9-19(16-18)26-37-28(33)41-30(39-26)35-22-12-2-4-14-24(22)43-44-25-15-5-3-13-23(25)36-31-40-27(38-29(34)42-31)20-10-7-11-21(32)17-20;1-17-10-12-18(13-11-17)25-37-27(32)41-29(39-25)35-20-6-2-4-8-23(20)43-44-24-9-5-3-7-21(24)36-30-40-26(38-28(33)42-30)22-15-14-19(31)16-34-22/h2-17H,1H3,(H3,36,38,40,42,44)(H3,37,39,41,43,45);2-17H,1H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42);2-16H,1H3,(H3,32,35,37,39,41)(H3,33,36,38,40,42)
• InChIKey: BDVXHPBQAYRLON-UHFFFAOYSA-N
• XLogP: 23.12
• TPSA: 473.21 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2037.58
LogP ≤ 5	23.12
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-(5-iodo-2-pyridinyl)-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-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-[2-[[2-[[4-amino-6-(5-iodo-2-pyridinyl)-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-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 157318223) is 2-N-[2-[[2-[[4-amino-6-(5-iodo-2-pyridinyl)-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-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.

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

The canonical SMILES for 2-N-[2-[[2-[[4-amino-6-(5-iodo-2-pyridinyl)-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-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4ccc(C(F)(F)F)cc4)n3)n2)cc1.Cc1ccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4ccc(I)cn4)n3)n2)cc1.Cc1cccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4cccc(Cl)c4)n3)n2)c1.

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

The InChIKey is BDVXHPBQAYRLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F3N10S2.C31H25ClN10S2.C30H24IN11S2/c1-18-10-12-19(13-11-18)26-40-28(36)44-30(42-26)38-22-6-2-4-8-24(22)46-47-25-9-5-3-7-23(25)39-31-43-27(41-29(37)45-31)20-14-16-21(17-15-20)32(33,34)35;1-18-8-6-9-19(16-18)26-37-28(33)41-30(39-26)35-22-12-2-4-14-24(22)43-44-25-15-5-3-13-23(25)36-31-40-27(38-29(34)42-31)20-10-7-11-21(32)17-20;1-17-10-12-18(13-11-17)25-37-27(32)41-29(39-25)35-20-6-2-4-8-23(20)43-44-24-9-5-3-7-21(24)36-30-40-26(38-28(33)42-30)22-15-14-19(31)16-34-22/h2-17H,1H3,(H3,36,38,40,42,44)(H3,37,39,41,43,45);2-17H,1H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42);2-16H,1H3,(H3,32,35,37,39,41)(H3,33,36,38,40,42).

What are the key properties of 2-N-[2-[[2-[[4-amino-6-(5-iodo-2-pyridinyl)-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-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-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-(5-iodo-2-pyridinyl)-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-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 2037.58 g/mol, XLogP of 23.12, 27 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-(5-iodo-2-pyridinyl)-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-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 157318223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).