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

C58H94N24O6 — CID 54538032

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

1-morpholin-4-yl-2-[[4-[2-[[4-[(2-morpholin-4-yl-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4-[(2-morpholin-4-yl-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]ethanone (PubChem CID 54538032) has the molecular formula C58H94N24O6 and a molecular weight of 1223.55 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[[4-[2-[[4-[(2-morpholin-4-yl-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4-[(2-morpholin-4-yl-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]ethanone.

Molecular Properties

• Compound Name: 1-morpholin-4-yl-2-[[4-[2-[[4-[(2-morpholin-4-yl-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4-[(2-morpholin-4-yl-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]ethanone
• PubChem CID: 54538032
• Molecular Formula: C58H94N24O6
• Molecular Weight: 1223.55 g/mol
• Exact Mass: 1222.78
• IUPAC Name: 1-morpholin-4-yl-2-[[4-[2-[[4-[(2-morpholin-4-yl-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4-[(2-morpholin-4-yl-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]ethanone
• SMILES: CC1(C)CC(Nc2nc(N=CC(=O)N3CCOCC3)nc(NCCN(CCNc3nc(N=CC(=O)N4CCOCC4)nc(NC4CC(C)(C)NC(C)(C)C4)n3)c3nc(N=CC(=O)N4CCOCC4)nc(NC4CC(C)(C)NC(C)(C)C4)n3)n2)CC(C)(C)N1
• InChI: InChI=1S/C58H94N24O6/c1-53(2)29-38(30-54(3,4)76-53)64-49-69-44(67-46(71-49)61-35-41(83)79-17-23-86-24-18-79)59-13-15-82(52-74-48(63-37-43(85)81-21-27-88-28-22-81)73-51(75-52)66-40-33-57(9,10)78-58(11,12)34-40)16-14-60-45-68-47(62-36-42(84)80-19-25-87-26-20-80)72-50(70-45)65-39-31-55(5,6)77-56(7,8)32-39/h35-40,76-78H,13-34H2,1-12H3,(H,66,73,74,75)(H2,59,64,67,69,71)(H2,60,65,68,70,72)
• InChIKey: ZBDVCNIXZQXIJP-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 341.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1223.55
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-morpholin-4-yl-2-[[4-[2-[[4-[(2-morpholin-4-yl-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4-[(2-morpholin-4-yl-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]ethanone (CID 54538032) is 1-morpholin-4-yl-2-[[4-[2-[[4-[(2-morpholin-4-yl-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4-[(2-morpholin-4-yl-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]ethanone.

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

The canonical SMILES for 1-morpholin-4-yl-2-[[4-[2-[[4-[(2-morpholin-4-yl-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4-[(2-morpholin-4-yl-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]ethanone is CC1(C)CC(Nc2nc(N=CC(=O)N3CCOCC3)nc(NCCN(CCNc3nc(N=CC(=O)N4CCOCC4)nc(NC4CC(C)(C)NC(C)(C)C4)n3)c3nc(N=CC(=O)N4CCOCC4)nc(NC4CC(C)(C)NC(C)(C)C4)n3)n2)CC(C)(C)N1.

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

The InChIKey is ZBDVCNIXZQXIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H94N24O6/c1-53(2)29-38(30-54(3,4)76-53)64-49-69-44(67-46(71-49)61-35-41(83)79-17-23-86-24-18-79)59-13-15-82(52-74-48(63-37-43(85)81-21-27-88-28-22-81)73-51(75-52)66-40-33-57(9,10)78-58(11,12)34-40)16-14-60-45-68-47(62-36-42(84)80-19-25-87-26-20-80)72-50(70-45)65-39-31-55(5,6)77-56(7,8)32-39/h35-40,76-78H,13-34H2,1-12H3,(H,66,73,74,75)(H2,59,64,67,69,71)(H2,60,65,68,70,72).

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

1-morpholin-4-yl-2-[[4-[2-[[4-[(2-morpholin-4-yl-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4-[(2-morpholin-4-yl-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]ethanone has a molecular weight of 1223.55 g/mol, XLogP of 3.12, 21 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-morpholin-4-yl-2-[[4-[2-[[4-[(2-morpholin-4-yl-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4-[(2-morpholin-4-yl-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]ethanone is sourced from PubChem (CID 54538032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).