(2E)-1-morpholin-4-yl-2-[[4-[2-[2-[[4-[(E)-(2-morpholin-4-yl-2-oxoethylidene)amino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethylamino]ethylamino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]imino]ethanone

C40H65N15O6 — CID 20526086

About (2E)-1-morpholin-4-yl-2-[[4-[2-[2-[[4-[(E)-(2-morpholin-4-yl-2-oxoethylidene)amino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethylamino]ethylamino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]imino]ethanone

(2E)-1-morpholin-4-yl-2-[[4-[2-[2-[[4-[(E)-(2-morpholin-4-yl-2-oxoethylidene)amino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethylamino]ethylamino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]imino]ethanone (PubChem CID 20526086) has the molecular formula C40H65N15O6 and a molecular weight of 852.06 g/mol. Its IUPAC name is (2E)-1-morpholin-4-yl-2-[[4-[2-[2-[[4-[(E)-(2-morpholin-4-yl-2-oxoethylidene)amino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethylamino]ethylamino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]imino]ethanone.

Molecular Properties

• Compound Name: (2E)-1-morpholin-4-yl-2-[[4-[2-[2-[[4-[(E)-(2-morpholin-4-yl-2-oxoethylidene)amino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethylamino]ethylamino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]imino]ethanone
• PubChem CID: 20526086
• Molecular Formula: C40H65N15O6
• Molecular Weight: 852.06 g/mol
• Exact Mass: 851.52
• IUPAC Name: (2E)-1-morpholin-4-yl-2-[[4-[2-[2-[[4-[(E)-(2-morpholin-4-yl-2-oxoethylidene)amino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethylamino]ethylamino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]imino]ethanone
• SMILES: CC1(C)CC(Oc2nc(/N=C/C(=O)N3CCOCC3)nc(NCCNCCNc3nc(/N=C/C(=O)N4CCOCC4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)n2)CC(C)(C)N1
• InChI: InChI=1S/C40H65N15O6/c1-37(2)21-27(22-38(3,4)52-37)60-35-48-31(46-33(50-35)44-25-29(56)54-13-17-58-18-14-54)42-11-9-41-10-12-43-32-47-34(45-26-30(57)55-15-19-59-20-16-55)51-36(49-32)61-28-23-39(5,6)53-40(7,8)24-28/h25-28,41,52-53H,9-24H2,1-8H3,(H,42,46,48,50)(H,43,47,49,51)/b44-25+,45-26+
• InChIKey: GKBDCLGCCHUAJD-MHKBATPZSA-N
• XLogP: 1.67
• TPSA: 239.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.06
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E)-1-morpholin-4-yl-2-[[4-[2-[2-[[4-[(E)-(2-morpholin-4-yl-2-oxoethylidene)amino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethylamino]ethylamino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]imino]ethanone?

The IUPAC name of (2E)-1-morpholin-4-yl-2-[[4-[2-[2-[[4-[(E)-(2-morpholin-4-yl-2-oxoethylidene)amino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethylamino]ethylamino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]imino]ethanone (CID 20526086) is (2E)-1-morpholin-4-yl-2-[[4-[2-[2-[[4-[(E)-(2-morpholin-4-yl-2-oxoethylidene)amino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethylamino]ethylamino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]imino]ethanone.

What is the SMILES notation for (2E)-1-morpholin-4-yl-2-[[4-[2-[2-[[4-[(E)-(2-morpholin-4-yl-2-oxoethylidene)amino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethylamino]ethylamino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]imino]ethanone?

The canonical SMILES for (2E)-1-morpholin-4-yl-2-[[4-[2-[2-[[4-[(E)-(2-morpholin-4-yl-2-oxoethylidene)amino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethylamino]ethylamino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]imino]ethanone is CC1(C)CC(Oc2nc(/N=C/C(=O)N3CCOCC3)nc(NCCNCCNc3nc(/N=C/C(=O)N4CCOCC4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)n2)CC(C)(C)N1.

What is the InChIKey of (2E)-1-morpholin-4-yl-2-[[4-[2-[2-[[4-[(E)-(2-morpholin-4-yl-2-oxoethylidene)amino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethylamino]ethylamino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]imino]ethanone?

The InChIKey is GKBDCLGCCHUAJD-MHKBATPZSA-N. The full InChI is InChI=1S/C40H65N15O6/c1-37(2)21-27(22-38(3,4)52-37)60-35-48-31(46-33(50-35)44-25-29(56)54-13-17-58-18-14-54)42-11-9-41-10-12-43-32-47-34(45-26-30(57)55-15-19-59-20-16-55)51-36(49-32)61-28-23-39(5,6)53-40(7,8)24-28/h25-28,41,52-53H,9-24H2,1-8H3,(H,42,46,48,50)(H,43,47,49,51)/b44-25+,45-26+.

What are the key properties of (2E)-1-morpholin-4-yl-2-[[4-[2-[2-[[4-[(E)-(2-morpholin-4-yl-2-oxoethylidene)amino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethylamino]ethylamino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]imino]ethanone?

(2E)-1-morpholin-4-yl-2-[[4-[2-[2-[[4-[(E)-(2-morpholin-4-yl-2-oxoethylidene)amino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethylamino]ethylamino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]imino]ethanone has a molecular weight of 852.06 g/mol, XLogP of 1.67, 16 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-1-morpholin-4-yl-2-[[4-[2-[2-[[4-[(E)-(2-morpholin-4-yl-2-oxoethylidene)amino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethylamino]ethylamino]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]imino]ethanone is sourced from PubChem (CID 20526086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).