6-(oxiran-2-ylmethoxy)-4-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine

C60H110N12O6 — CID 19090180

About 6-(oxiran-2-ylmethoxy)-4-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine

6-(oxiran-2-ylmethoxy)-4-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (PubChem CID 19090180) has the molecular formula C60H110N12O6 and a molecular weight of 1095.62 g/mol. Its IUPAC name is 6-(oxiran-2-ylmethoxy)-4-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(oxiran-2-ylmethoxy)-4-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 19090180
• Molecular Formula: C60H110N12O6
• Molecular Weight: 1095.62 g/mol
• Exact Mass: 1094.87
• IUPAC Name: 6-(oxiran-2-ylmethoxy)-4-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
• SMILES: CCCCCCCCON1C(C)(C)CC(C(CCC)Nc2nc(NCCCCCCNc3nc(NC(CCC)C4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)nc(OCC4CO4)n3)nc(OCC3CO3)n2)CC1(C)C
• InChI: InChI=1S/C60H110N12O6/c1-13-17-19-21-25-29-35-77-71-57(5,6)37-45(38-58(71,7)8)49(31-15-3)63-53-65-51(67-55(69-53)75-43-47-41-73-47)61-33-27-23-24-28-34-62-52-66-54(70-56(68-52)76-44-48-42-74-48)64-50(32-16-4)46-39-59(9,10)72(60(11,12)40-46)78-36-30-26-22-20-18-14-2/h45-50H,13-44H2,1-12H3,(H2,61,63,65,67,69)(H2,62,64,66,68,70)
• InChIKey: QZYPDLSBRKSRRE-UHFFFAOYSA-N
• XLogP: 12.98
• TPSA: 193.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 41
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1095.62
LogP ≤ 5	12.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(oxiran-2-ylmethoxy)-4-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-(oxiran-2-ylmethoxy)-4-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (CID 19090180) is 6-(oxiran-2-ylmethoxy)-4-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-(oxiran-2-ylmethoxy)-4-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-(oxiran-2-ylmethoxy)-4-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is CCCCCCCCON1C(C)(C)CC(C(CCC)Nc2nc(NCCCCCCNc3nc(NC(CCC)C4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)nc(OCC4CO4)n3)nc(OCC3CO3)n2)CC1(C)C.

What is the InChIKey of 6-(oxiran-2-ylmethoxy)-4-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is QZYPDLSBRKSRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H110N12O6/c1-13-17-19-21-25-29-35-77-71-57(5,6)37-45(38-58(71,7)8)49(31-15-3)63-53-65-51(67-55(69-53)75-43-47-41-73-47)61-33-27-23-24-28-34-62-52-66-54(70-56(68-52)76-44-48-42-74-48)64-50(32-16-4)46-39-59(9,10)72(60(11,12)40-46)78-36-30-26-22-20-18-14-2/h45-50H,13-44H2,1-12H3,(H2,61,63,65,67,69)(H2,62,64,66,68,70).

What are the key properties of 6-(oxiran-2-ylmethoxy)-4-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?

6-(oxiran-2-ylmethoxy)-4-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1095.62 g/mol, XLogP of 12.98, 41 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(oxiran-2-ylmethoxy)-4-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19090180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).