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-phenyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine

C61H49ClN20S4 — CID 162180941

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-phenyl-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-(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-phenyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 162180941) has the molecular formula C61H49ClN20S4 and a molecular weight of 1225.92 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-phenyl-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-(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-phenyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine
• PubChem CID: 162180941
• Molecular Formula: C61H49ClN20S4
• Molecular Weight: 1225.92 g/mol
• Exact Mass: 1224.30
• 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-phenyl-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(Cl)cc4)n3)n2)cc1.Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccccc3)n2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C31H25ClN10S2.C30H24N10S2/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;31-27-35-25(19-11-3-1-4-12-19)37-29(39-27)33-21-15-7-9-17-23(21)41-42-24-18-10-8-16-22(24)34-30-38-26(36-28(32)40-30)20-13-5-2-6-14-20/h2-17H,1H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42);1-18H,(H3,31,33,35,37,39)(H3,32,34,36,38,40)
• InChIKey: ZOZWFYJGPLBXGN-UHFFFAOYSA-N
• XLogP: 14.65
• TPSA: 306.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1225.92
LogP ≤ 5	14.65
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-(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-phenyl-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-(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-phenyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine (CID 162180941) 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-phenyl-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-(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-phenyl-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-(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-phenyl-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(Cl)cc4)n3)n2)cc1.Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccccc3)n2)nc(-c2ccccc2)n1.

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-phenyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine?

The InChIKey is ZOZWFYJGPLBXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25ClN10S2.C30H24N10S2/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;31-27-35-25(19-11-3-1-4-12-19)37-29(39-27)33-21-15-7-9-17-23(21)41-42-24-18-10-8-16-22(24)34-30-38-26(36-28(32)40-30)20-13-5-2-6-14-20/h2-17H,1H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42);1-18H,(H3,31,33,35,37,39)(H3,32,34,36,38,40).

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-phenyl-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-(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-phenyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 1225.92 g/mol, XLogP of 14.65, 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-(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-phenyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 162180941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).