2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-bromophenyl)-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

C62H50BrClN20S4 — CID 158579817

About 2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-bromophenyl)-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-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-bromophenyl)-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 (PubChem CID 158579817) has the molecular formula C62H50BrClN20S4 and a molecular weight of 1318.85 g/mol. Its IUPAC name is 2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-bromophenyl)-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.

Molecular Properties

• Compound Name: 2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-bromophenyl)-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
• PubChem CID: 158579817
• Molecular Formula: C62H50BrClN20S4
• Molecular Weight: 1318.85 g/mol
• Exact Mass: 1316.23
• IUPAC Name: 2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-bromophenyl)-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
• SMILES: Cc1cccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4cccc(Br)c4)n3)n2)c1.Cc1cccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4cccc(Cl)c4)n3)n2)c1
• InChI: InChI=1S/C31H25BrN10S2.C31H25ClN10S2/c2*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/h2*2-17H,1H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42)
• InChIKey: HTCMRCOUZFAIOJ-UHFFFAOYSA-N
• XLogP: 15.72
• TPSA: 306.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1318.85
LogP ≤ 5	15.72
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-bromophenyl)-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?

The IUPAC name of 2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-bromophenyl)-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 (CID 158579817) is 2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-bromophenyl)-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.

What is the SMILES notation for 2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-bromophenyl)-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?

The canonical SMILES for 2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-bromophenyl)-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 is Cc1cccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4cccc(Br)c4)n3)n2)c1.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-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-bromophenyl)-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?

The InChIKey is HTCMRCOUZFAIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25BrN10S2.C31H25ClN10S2/c2*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/h2*2-17H,1H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42).

What are the key properties of 2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-bromophenyl)-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-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-bromophenyl)-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 has a molecular weight of 1318.85 g/mol, XLogP of 15.72, 18 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-bromophenyl)-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 is sourced from PubChem (CID 158579817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).