2-N-[2-[[2-[[4-amino-6-(4-chlorophenyl)-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

C61H49ClIN21S4 — CID 159754260

About 2-N-[2-[[2-[[4-amino-6-(4-chlorophenyl)-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-(4-chlorophenyl)-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 (PubChem CID 159754260) has the molecular formula C61H49ClIN21S4 and a molecular weight of 1366.83 g/mol. Its IUPAC name is 2-N-[2-[[2-[[4-amino-6-(4-chlorophenyl)-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.

Molecular Properties

• Compound Name: 2-N-[2-[[2-[[4-amino-6-(4-chlorophenyl)-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
• PubChem CID: 159754260
• Molecular Formula: C61H49ClIN21S4
• Molecular Weight: 1366.83 g/mol
• Exact Mass: 1365.21
• IUPAC Name: 2-N-[2-[[2-[[4-amino-6-(4-chlorophenyl)-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
• SMILES: Cc1ccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4ccc(Cl)cc4)n3)n2)cc1.Cc1ccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4ccc(I)cn4)n3)n2)cc1
• InChI: InChI=1S/C31H25ClN10S2.C30H24IN11S2/c1-18-10-12-19(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;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,(H3,33,35,37,39,41)(H3,34,36,38,40,42);2-16H,1H3,(H3,32,35,37,39,41)(H3,33,36,38,40,42)
• InChIKey: NEAYHSVXCLVNJS-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 319.77 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1366.83
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

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-(4-chlorophenyl)-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?

The IUPAC name of 2-N-[2-[[2-[[4-amino-6-(4-chlorophenyl)-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 (CID 159754260) is 2-N-[2-[[2-[[4-amino-6-(4-chlorophenyl)-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.

What is the SMILES notation for 2-N-[2-[[2-[[4-amino-6-(4-chlorophenyl)-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?

The canonical SMILES for 2-N-[2-[[2-[[4-amino-6-(4-chlorophenyl)-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 is Cc1ccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4ccc(Cl)cc4)n3)n2)cc1.Cc1ccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4ccc(I)cn4)n3)n2)cc1.

What is the InChIKey of 2-N-[2-[[2-[[4-amino-6-(4-chlorophenyl)-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?

The InChIKey is NEAYHSVXCLVNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25ClN10S2.C30H24IN11S2/c1-18-10-12-19(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;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,(H3,33,35,37,39,41)(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-(4-chlorophenyl)-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-(4-chlorophenyl)-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 has a molecular weight of 1366.83 g/mol, XLogP of 14.95, 18 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[2-[[2-[[4-amino-6-(4-chlorophenyl)-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 is sourced from PubChem (CID 159754260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).