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

C64H119N23 — CID 18715891

IUPAC2-N-[[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[[[4-methyl-6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]amino]methyl]-4-N,6-N-dimethyl-2-N-(methylaminomethyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCNCN(CN(CNc1nc(C)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1)c1nc(N(C)C2CC(C)(C)NC(C)(C)C2)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1)c1nc(N(C)C2CC(C)(C)NC(C)(C)C2)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C64H119N23/c1-41-67-47(69-48(68-41)81(23)42-28-55(2,3)76-56(4,5)29-42)66-39-87(54-74-51(84(26)45-34-61(14,15)79-62(16,17)35-45)71-52(75-54)85(27)46-36-63(18,19)80-64(20,21)37-46)40-86(38-65-22)53-72-49(82(24)43-30-57(6,7)77-58(8,9)31-43)70-50(73-53)83(25)44-32-59(10,11)78-60(12,13)33-44/h42-46,65,76-80H,28-40H2,1-27H3,(H,66,67,68,69)
InChIKeyDAJRQMASVIDBOZ-UHFFFAOYSA-N
MW1210.82 g/mol
LogP7.79
Rot. Bonds19

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

2-N-[[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[[[4-methyl-6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]amino]methyl]-4-N,6-N-dimethyl-2-N-(methylaminomethyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 18715891) has the molecular formula C64H119N23 and a molecular weight of 1210.82 g/mol. Its IUPAC name is 2-N-[[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[[[4-methyl-6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]amino]methyl]-4-N,6-N-dimethyl-2-N-(methylaminomethyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[[[4-methyl-6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]amino]methyl]-4-N,6-N-dimethyl-2-N-(methylaminomethyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID18715891
Molecular FormulaC64H119N23
Molecular Weight1210.82 g/mol
Exact Mass1210.00
IUPAC Name2-N-[[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[[[4-methyl-6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]amino]methyl]-4-N,6-N-dimethyl-2-N-(methylaminomethyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCNCN(CN(CNc1nc(C)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1)c1nc(N(C)C2CC(C)(C)NC(C)(C)C2)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1)c1nc(N(C)C2CC(C)(C)NC(C)(C)C2)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C64H119N23/c1-41-67-47(69-48(68-41)81(23)42-28-55(2,3)76-56(4,5)29-42)66-39-87(54-74-51(84(26)45-34-61(14,15)79-62(16,17)35-45)71-52(75-54)85(27)46-36-63(18,19)80-64(20,21)37-46)40-86(38-65-22)53-72-49(82(24)43-30-57(6,7)77-58(8,9)31-43)70-50(73-53)83(25)44-32-59(10,11)78-60(12,13)33-44/h42-46,65,76-80H,28-40H2,1-27H3,(H,66,67,68,69)
InChIKeyDAJRQMASVIDBOZ-UHFFFAOYSA-N
XLogP7.79
TPSA222.90 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001210.82
LogP ≤ 57.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-N-[[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[[[4-methyl-6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]amino]methyl]-4-N,6-N-dimethyl-2-N-(methylaminomethyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[[[4-methyl-6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]amino]methyl]-4-N,6-N-dimethyl-2-N-(methylaminomethyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[[[4-methyl-6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]amino]methyl]-4-N,6-N-dimethyl-2-N-(methylaminomethyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 18715891) is 2-N-[[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[[[4-methyl-6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]amino]methyl]-4-N,6-N-dimethyl-2-N-(methylaminomethyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[[[4-methyl-6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]amino]methyl]-4-N,6-N-dimethyl-2-N-(methylaminomethyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[[[4-methyl-6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]amino]methyl]-4-N,6-N-dimethyl-2-N-(methylaminomethyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CNCN(CN(CNc1nc(C)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1)c1nc(N(C)C2CC(C)(C)NC(C)(C)C2)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1)c1nc(N(C)C2CC(C)(C)NC(C)(C)C2)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of 2-N-[[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[[[4-methyl-6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]amino]methyl]-4-N,6-N-dimethyl-2-N-(methylaminomethyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DAJRQMASVIDBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H119N23/c1-41-67-47(69-48(68-41)81(23)42-28-55(2,3)76-56(4,5)29-42)66-39-87(54-74-51(84(26)45-34-61(14,15)79-62(16,17)35-45)71-52(75-54)85(27)46-36-63(18,19)80-64(20,21)37-46)40-86(38-65-22)53-72-49(82(24)43-30-57(6,7)77-58(8,9)31-43)70-50(73-53)83(25)44-32-59(10,11)78-60(12,13)33-44/h42-46,65,76-80H,28-40H2,1-27H3,(H,66,67,68,69).
What are the key properties of 2-N-[[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[[[4-methyl-6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]amino]methyl]-4-N,6-N-dimethyl-2-N-(methylaminomethyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N-[[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[[[4-methyl-6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]amino]methyl]-4-N,6-N-dimethyl-2-N-(methylaminomethyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1210.82 g/mol, XLogP of 7.79, 19 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[[[4-methyl-6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]amino]methyl]-4-N,6-N-dimethyl-2-N-(methylaminomethyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18715891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).