2-N,4-N-bis[6-[[4,6-bis[bis(2-methoxyethyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-methyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C91H173N23O8 — CID 20691773

About 2-N,4-N-bis[6-[[4,6-bis[bis(2-methoxyethyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-methyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis[6-[[4,6-bis[bis(2-methoxyethyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-methyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 20691773) has the molecular formula C91H173N23O8 and a molecular weight of 1717.54 g/mol. Its IUPAC name is 2-N,4-N-bis[6-[[4,6-bis[bis(2-methoxyethyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-methyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N,4-N-bis[6-[[4,6-bis[bis(2-methoxyethyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-methyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 20691773
• Molecular Formula: C91H173N23O8
• Molecular Weight: 1717.54 g/mol
• Exact Mass: 1716.38
• IUPAC Name: 2-N,4-N-bis[6-[[4,6-bis[bis(2-methoxyethyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-methyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• SMILES: COCCN(CCOC)c1nc(N(CCOC)CCOC)nc(N(CCCCCCN(c2nc(N(C)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCCCCN(c3nc(N(CCOC)CCOC)nc(N(CCOC)CCOC)n3)C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
• InChI: InChI=1S/C91H173N23O8/c1-82(2)58-68(59-83(3,4)101-82)106(21)73-92-78(111(69-60-84(5,6)102-85(7,8)61-69)38-34-30-32-36-40-113(71-64-88(13,14)104-89(15,16)65-71)80-96-74(107(42-50-115-22)43-51-116-23)94-75(97-80)108(44-52-117-24)45-53-118-25)100-79(93-73)112(70-62-86(9,10)103-87(11,12)63-70)39-35-31-33-37-41-114(72-66-90(17,18)105-91(19,20)67-72)81-98-76(109(46-54-119-26)47-55-120-27)95-77(99-81)110(48-56-121-28)49-57-122-29/h68-72,101-105H,30-67H2,1-29H3
• InChIKey: ADMWFZDHJRPSNK-UHFFFAOYSA-N
• XLogP: 11.37
• TPSA: 279.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 52
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1717.54
LogP ≤ 5	11.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[6-[[4,6-bis[bis(2-methoxyethyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-methyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N,4-N-bis[6-[[4,6-bis[bis(2-methoxyethyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-methyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 20691773) is 2-N,4-N-bis[6-[[4,6-bis[bis(2-methoxyethyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-methyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N,4-N-bis[6-[[4,6-bis[bis(2-methoxyethyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-methyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N,4-N-bis[6-[[4,6-bis[bis(2-methoxyethyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-methyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is COCCN(CCOC)c1nc(N(CCOC)CCOC)nc(N(CCCCCCN(c2nc(N(C)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCCCCN(c3nc(N(CCOC)CCOC)nc(N(CCOC)CCOC)n3)C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.

What is the InChIKey of 2-N,4-N-bis[6-[[4,6-bis[bis(2-methoxyethyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-methyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is ADMWFZDHJRPSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H173N23O8/c1-82(2)58-68(59-83(3,4)101-82)106(21)73-92-78(111(69-60-84(5,6)102-85(7,8)61-69)38-34-30-32-36-40-113(71-64-88(13,14)104-89(15,16)65-71)80-96-74(107(42-50-115-22)43-51-116-23)94-75(97-80)108(44-52-117-24)45-53-118-25)100-79(93-73)112(70-62-86(9,10)103-87(11,12)63-70)39-35-31-33-37-41-114(72-66-90(17,18)105-91(19,20)67-72)81-98-76(109(46-54-119-26)47-55-120-27)95-77(99-81)110(48-56-121-28)49-57-122-29/h68-72,101-105H,30-67H2,1-29H3.

What are the key properties of 2-N,4-N-bis[6-[[4,6-bis[bis(2-methoxyethyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-methyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

2-N,4-N-bis[6-[[4,6-bis[bis(2-methoxyethyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-methyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1717.54 g/mol, XLogP of 11.37, 52 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N-bis[6-[[4,6-bis[bis(2-methoxyethyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-methyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 20691773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).