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

C20H39N7O2 — CID 54518818

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

2-[[4-(2-hydroxyethylamino)-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 54518818) has the molecular formula C20H39N7O2 and a molecular weight of 409.58 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethylamino)-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[[4-(2-hydroxyethylamino)-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
• PubChem CID: 54518818
• Molecular Formula: C20H39N7O2
• Molecular Weight: 409.58 g/mol
• Exact Mass: 409.32
• IUPAC Name: 2-[[4-(2-hydroxyethylamino)-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
• SMILES: CC1(C)CC(CCCCNc2nc(NCCO)nc(NCCO)n2)CC(C)(C)N1
• InChI: InChI=1S/C20H39N7O2/c1-19(2)13-15(14-20(3,4)27-19)7-5-6-8-21-16-24-17(22-9-11-28)26-18(25-16)23-10-12-29/h15,27-29H,5-14H2,1-4H3,(H3,21,22,23,24,25,26)
• InChIKey: YOHWHSNOTIIWIS-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 127.25 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.58
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[[4-(2-hydroxyethylamino)-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol (CID 54518818) is 2-[[4-(2-hydroxyethylamino)-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol.

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

The canonical SMILES for 2-[[4-(2-hydroxyethylamino)-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol is CC1(C)CC(CCCCNc2nc(NCCO)nc(NCCO)n2)CC(C)(C)N1.

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

The InChIKey is YOHWHSNOTIIWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N7O2/c1-19(2)13-15(14-20(3,4)27-19)7-5-6-8-21-16-24-17(22-9-11-28)26-18(25-16)23-10-12-29/h15,27-29H,5-14H2,1-4H3,(H3,21,22,23,24,25,26).

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

2-[[4-(2-hydroxyethylamino)-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 409.58 g/mol, XLogP of 1.82, 12 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(2-hydroxyethylamino)-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 54518818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).