2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexylamino]-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol

C44H84N14O4 — CID 19090177

About 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexylamino]-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexylamino]-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 19090177) has the molecular formula C44H84N14O4 and a molecular weight of 873.25 g/mol. Its IUPAC name is 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexylamino]-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexylamino]-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
• PubChem CID: 19090177
• Molecular Formula: C44H84N14O4
• Molecular Weight: 873.25 g/mol
• Exact Mass: 872.68
• IUPAC Name: 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexylamino]-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
• SMILES: CCCC(Nc1nc(NCCO)nc(NCCCCCCNc2nc(NCCO)nc(NC(CCC)C3CC(C)(C)N(OC)C(C)(C)C3)n2)n1)C1CC(C)(C)N(OC)C(C)(C)C1
• InChI: InChI=1S/C44H84N14O4/c1-13-19-33(31-27-41(3,4)57(61-11)42(5,6)28-31)49-39-53-35(51-37(55-39)47-23-25-59)45-21-17-15-16-18-22-46-36-52-38(48-24-26-60)56-40(54-36)50-34(20-14-2)32-29-43(7,8)58(62-12)44(9,10)30-32/h31-34,59-60H,13-30H2,1-12H3,(H3,45,47,49,51,53,55)(H3,46,48,50,52,54,56)
• InChIKey: XFJRBHNYQLXTHD-UHFFFAOYSA-N
• XLogP: 6.77
• TPSA: 214.92 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	873.25
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexylamino]-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol?

The IUPAC name of 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexylamino]-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol (CID 19090177) is 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexylamino]-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol.

What is the SMILES notation for 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexylamino]-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol?

The canonical SMILES for 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexylamino]-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol is CCCC(Nc1nc(NCCO)nc(NCCCCCCNc2nc(NCCO)nc(NC(CCC)C3CC(C)(C)N(OC)C(C)(C)C3)n2)n1)C1CC(C)(C)N(OC)C(C)(C)C1.

What is the InChIKey of 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexylamino]-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol?

The InChIKey is XFJRBHNYQLXTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H84N14O4/c1-13-19-33(31-27-41(3,4)57(61-11)42(5,6)28-31)49-39-53-35(51-37(55-39)47-23-25-59)45-21-17-15-16-18-22-46-36-52-38(48-24-26-60)56-40(54-36)50-34(20-14-2)32-29-43(7,8)58(62-12)44(9,10)30-32/h31-34,59-60H,13-30H2,1-12H3,(H3,45,47,49,51,53,55)(H3,46,48,50,52,54,56).

What are the key properties of 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexylamino]-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol?

2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexylamino]-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 873.25 g/mol, XLogP of 6.77, 27 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexylamino]-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 19090177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).