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

C30H20Cl4N10S2 — CID 155144503

About 2-N-[2-[[2-[[4-amino-6-(2,6-dichlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2,6-dichlorophenyl)-1,3,5-triazine-2,4-diamine

2-N-[2-[[2-[[4-amino-6-(2,6-dichlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2,6-dichlorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 155144503) has the molecular formula C30H20Cl4N10S2 and a molecular weight of 726.51 g/mol. Its IUPAC name is 2-N-[2-[[2-[[4-amino-6-(2,6-dichlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2,6-dichlorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[2-[[2-[[4-amino-6-(2,6-dichlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2,6-dichlorophenyl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 155144503
• Molecular Formula: C30H20Cl4N10S2
• Molecular Weight: 726.51 g/mol
• Exact Mass: 724.01
• IUPAC Name: 2-N-[2-[[2-[[4-amino-6-(2,6-dichlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2,6-dichlorophenyl)-1,3,5-triazine-2,4-diamine
• SMILES: Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3c(Cl)cccc3Cl)n2)nc(-c2c(Cl)cccc2Cl)n1
• InChI: InChI=1S/C30H20Cl4N10S2/c31-15-7-5-8-16(32)23(15)25-39-27(35)43-29(41-25)37-19-11-1-3-13-21(19)45-46-22-14-4-2-12-20(22)38-30-42-26(40-28(36)44-30)24-17(33)9-6-10-18(24)34/h1-14H,(H3,35,37,39,41,43)(H3,36,38,40,42,44)
• InChIKey: IZRHSAQXAQEBBO-UHFFFAOYSA-N
• XLogP: 9.46
• TPSA: 153.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	726.51
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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

The IUPAC name of 2-N-[2-[[2-[[4-amino-6-(2,6-dichlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2,6-dichlorophenyl)-1,3,5-triazine-2,4-diamine (CID 155144503) is 2-N-[2-[[2-[[4-amino-6-(2,6-dichlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2,6-dichlorophenyl)-1,3,5-triazine-2,4-diamine.

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

The canonical SMILES for 2-N-[2-[[2-[[4-amino-6-(2,6-dichlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2,6-dichlorophenyl)-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3c(Cl)cccc3Cl)n2)nc(-c2c(Cl)cccc2Cl)n1.

What is the InChIKey of 2-N-[2-[[2-[[4-amino-6-(2,6-dichlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2,6-dichlorophenyl)-1,3,5-triazine-2,4-diamine?

The InChIKey is IZRHSAQXAQEBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20Cl4N10S2/c31-15-7-5-8-16(32)23(15)25-39-27(35)43-29(41-25)37-19-11-1-3-13-21(19)45-46-22-14-4-2-12-20(22)38-30-42-26(40-28(36)44-30)24-17(33)9-6-10-18(24)34/h1-14H,(H3,35,37,39,41,43)(H3,36,38,40,42,44).

What are the key properties of 2-N-[2-[[2-[[4-amino-6-(2,6-dichlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2,6-dichlorophenyl)-1,3,5-triazine-2,4-diamine?

2-N-[2-[[2-[[4-amino-6-(2,6-dichlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2,6-dichlorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 726.51 g/mol, XLogP of 9.46, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[2-[[2-[[4-amino-6-(2,6-dichlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2,6-dichlorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 155144503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).