2-[2-(diethylamino)ethoxy]-4-[2-[2-[[4-[2-(diethylamino)ethoxy]-6-[2-(diethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-6-[2-(diethylamino)ethylamino]-1,3,5-triazine

C34H70N16O6S2 — CID 121339686

About 2-[2-(diethylamino)ethoxy]-4-[2-[2-[[4-[2-(diethylamino)ethoxy]-6-[2-(diethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-6-[2-(diethylamino)ethylamino]-1,3,5-triazine

2-[2-(diethylamino)ethoxy]-4-[2-[2-[[4-[2-(diethylamino)ethoxy]-6-[2-(diethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-6-[2-(diethylamino)ethylamino]-1,3,5-triazine (PubChem CID 121339686) has the molecular formula C34H70N16O6S2 and a molecular weight of 863.17 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]-4-[2-[2-[[4-[2-(diethylamino)ethoxy]-6-[2-(diethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-6-[2-(diethylamino)ethylamino]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[2-(diethylamino)ethoxy]-4-[2-[2-[[4-[2-(diethylamino)ethoxy]-6-[2-(diethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-6-[2-(diethylamino)ethylamino]-1,3,5-triazine
• PubChem CID: 121339686
• Molecular Formula: C34H70N16O6S2
• Molecular Weight: 863.17 g/mol
• Exact Mass: 862.51
• IUPAC Name: 2-[2-(diethylamino)ethoxy]-4-[2-[2-[[4-[2-(diethylamino)ethoxy]-6-[2-(diethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-6-[2-(diethylamino)ethylamino]-1,3,5-triazine
• SMILES: CCN(CC)CCNc1nc(NCCNS(=O)(=O)S(=O)(=O)NCCNc2nc(NCCN(CC)CC)nc(OCCN(CC)CC)n2)nc(OCCN(CC)CC)n1
• InChI: InChI=1S/C34H70N16O6S2/c1-9-47(10-2)23-21-37-31-41-29(43-33(45-31)55-27-25-49(13-5)14-6)35-17-19-39-57(51,52)58(53,54)40-20-18-36-30-42-32(38-22-24-48(11-3)12-4)46-34(44-30)56-28-26-50(15-7)16-8/h39-40H,9-28H2,1-8H3,(H2,35,37,41,43,45)(H2,36,38,42,44,46)
• InChIKey: ZNKCGXJMVCYBMM-UHFFFAOYSA-N
• XLogP: 0.28
• TPSA: 249.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 35
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	863.17
LogP ≤ 5	0.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]-4-[2-[2-[[4-[2-(diethylamino)ethoxy]-6-[2-(diethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-6-[2-(diethylamino)ethylamino]-1,3,5-triazine?

The IUPAC name of 2-[2-(diethylamino)ethoxy]-4-[2-[2-[[4-[2-(diethylamino)ethoxy]-6-[2-(diethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-6-[2-(diethylamino)ethylamino]-1,3,5-triazine (CID 121339686) is 2-[2-(diethylamino)ethoxy]-4-[2-[2-[[4-[2-(diethylamino)ethoxy]-6-[2-(diethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-6-[2-(diethylamino)ethylamino]-1,3,5-triazine.

What is the SMILES notation for 2-[2-(diethylamino)ethoxy]-4-[2-[2-[[4-[2-(diethylamino)ethoxy]-6-[2-(diethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-6-[2-(diethylamino)ethylamino]-1,3,5-triazine?

The canonical SMILES for 2-[2-(diethylamino)ethoxy]-4-[2-[2-[[4-[2-(diethylamino)ethoxy]-6-[2-(diethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-6-[2-(diethylamino)ethylamino]-1,3,5-triazine is CCN(CC)CCNc1nc(NCCNS(=O)(=O)S(=O)(=O)NCCNc2nc(NCCN(CC)CC)nc(OCCN(CC)CC)n2)nc(OCCN(CC)CC)n1.

What is the InChIKey of 2-[2-(diethylamino)ethoxy]-4-[2-[2-[[4-[2-(diethylamino)ethoxy]-6-[2-(diethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-6-[2-(diethylamino)ethylamino]-1,3,5-triazine?

The InChIKey is ZNKCGXJMVCYBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70N16O6S2/c1-9-47(10-2)23-21-37-31-41-29(43-33(45-31)55-27-25-49(13-5)14-6)35-17-19-39-57(51,52)58(53,54)40-20-18-36-30-42-32(38-22-24-48(11-3)12-4)46-34(44-30)56-28-26-50(15-7)16-8/h39-40H,9-28H2,1-8H3,(H2,35,37,41,43,45)(H2,36,38,42,44,46).

What are the key properties of 2-[2-(diethylamino)ethoxy]-4-[2-[2-[[4-[2-(diethylamino)ethoxy]-6-[2-(diethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-6-[2-(diethylamino)ethylamino]-1,3,5-triazine?

2-[2-(diethylamino)ethoxy]-4-[2-[2-[[4-[2-(diethylamino)ethoxy]-6-[2-(diethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-6-[2-(diethylamino)ethylamino]-1,3,5-triazine has a molecular weight of 863.17 g/mol, XLogP of 0.28, 35 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(diethylamino)ethoxy]-4-[2-[2-[[4-[2-(diethylamino)ethoxy]-6-[2-(diethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-6-[2-(diethylamino)ethylamino]-1,3,5-triazine is sourced from PubChem (CID 121339686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).