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

C59H47FN22S4 — CID 158904161

About 2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyridin-2-yl-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-fluorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 158904161) has the molecular formula C59H47FN22S4 and a molecular weight of 1211.44 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-fluorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyridin-2-yl-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-fluorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine
• PubChem CID: 158904161
• Molecular Formula: C59H47FN22S4
• Molecular Weight: 1211.44 g/mol
• Exact Mass: 1210.32
• IUPAC Name: 2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine
• SMILES: Cc1cccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4cccc(F)c4)n3)n2)c1.Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccccn3)n2)nc(-c2ccccn2)n1
• InChI: InChI=1S/C31H25FN10S2.C28H22N12S2/c1-18-8-6-9-19(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;29-25-35-23(19-11-5-7-15-31-19)37-27(39-25)33-17-9-1-3-13-21(17)41-42-22-14-4-2-10-18(22)34-28-38-24(36-26(30)40-28)20-12-6-8-16-32-20/h2-17H,1H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42);1-16H,(H3,29,33,35,37,39)(H3,30,34,36,38,40)
• InChIKey: JFVFEAANSIBWJV-UHFFFAOYSA-N
• XLogP: 12.92
• TPSA: 332.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1211.44
LogP ≤ 5	12.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

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-fluorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyridin-2-yl-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-fluorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine (CID 158904161) is 2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyridin-2-yl-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-fluorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyridin-2-yl-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-fluorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine is Cc1cccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4cccc(F)c4)n3)n2)c1.Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccccn3)n2)nc(-c2ccccn2)n1.

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

The InChIKey is JFVFEAANSIBWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN10S2.C28H22N12S2/c1-18-8-6-9-19(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;29-25-35-23(19-11-5-7-15-31-19)37-27(39-25)33-17-9-1-3-13-21(17)41-42-22-14-4-2-10-18(22)34-28-38-24(36-26(30)40-28)20-12-6-8-16-32-20/h2-17H,1H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42);1-16H,(H3,29,33,35,37,39)(H3,30,34,36,38,40).

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-fluorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyridin-2-yl-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-fluorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 1211.44 g/mol, XLogP of 12.92, 18 rotatable bonds, 8 hydrogen bond donors, and 26 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-fluorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[(4-amino-6-pyridin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158904161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).