6-[[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]-methylamino]-2-N,4-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

C62H116N18O6 — CID 91080942

IUPAC6-[[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]-methylamino]-2-N,4-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCN(c1nc(NC2CC(C)(C)N(O)C(C)(C)C2)nc(N(C2CC(C)(C)N(O)C(C)(C)C2)C2CC(C)(C)N(O)C(C)(C)C2)n1)N(C)c1nc(NC2CC(C)(C)N(O)C(C)(C)C2)nc(N(C2CC(C)(C)N(O)C(C)(C)C2)C2CC(C)(C)N(O)C(C)(C)C2)n1
InChIInChI=1S/C62H116N18O6/c1-51(2)27-39(28-52(3,4)75(51)81)63-45-65-47(69-49(67-45)73(41-31-55(9,10)77(83)56(11,12)32-41)42-33-57(13,14)78(84)58(15,16)34-42)71(25)72(26)48-66-46(64-40-29-53(5,6)76(82)54(7,8)30-40)68-50(70-48)74(43-35-59(17,18)79(85)60(19,20)36-43)44-37-61(21,22)80(86)62(23,24)38-44/h39-44,81-86H,27-38H2,1-26H3,(H,63,65,67,69)(H,64,66,68,70)
InChIKeyTUTHPUBTECOSMU-UHFFFAOYSA-N
MW1209.73 g/mol
LogP10.45
Rot. Bonds13

About 6-[[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]-methylamino]-2-N,4-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

6-[[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]-methylamino]-2-N,4-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 91080942) has the molecular formula C62H116N18O6 and a molecular weight of 1209.73 g/mol. Its IUPAC name is 6-[[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]-methylamino]-2-N,4-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]-methylamino]-2-N,4-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID91080942
Molecular FormulaC62H116N18O6
Molecular Weight1209.73 g/mol
Exact Mass1208.93
IUPAC Name6-[[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]-methylamino]-2-N,4-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCN(c1nc(NC2CC(C)(C)N(O)C(C)(C)C2)nc(N(C2CC(C)(C)N(O)C(C)(C)C2)C2CC(C)(C)N(O)C(C)(C)C2)n1)N(C)c1nc(NC2CC(C)(C)N(O)C(C)(C)C2)nc(N(C2CC(C)(C)N(O)C(C)(C)C2)C2CC(C)(C)N(O)C(C)(C)C2)n1
InChIInChI=1S/C62H116N18O6/c1-51(2)27-39(28-52(3,4)75(51)81)63-45-65-47(69-49(67-45)73(41-31-55(9,10)77(83)56(11,12)32-41)42-33-57(13,14)78(84)58(15,16)34-42)71(25)72(26)48-66-46(64-40-29-53(5,6)76(82)54(7,8)30-40)68-50(70-48)74(43-35-59(17,18)79(85)60(19,20)36-43)44-37-61(21,22)80(86)62(23,24)38-44/h39-44,81-86H,27-38H2,1-26H3,(H,63,65,67,69)(H,64,66,68,70)
InChIKeyTUTHPUBTECOSMU-UHFFFAOYSA-N
XLogP10.45
TPSA255.18 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds13
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001209.73
LogP ≤ 510.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]-methylamino]-2-N,4-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine
CID 91253252
CID 59482393
CID 59482393
CID 59482396
CID 59482396
N-[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine
CID 90968332
2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 91300319
2-[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 163565522
2-[[4,6-bis[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]ethanol
CID 90913166
CID 59482546
CID 59482546
2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine
CID 91807159
2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-6-[(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)oxy]-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 91369181
[4-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[6-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 163959645
[4-[[4-anilino-6-[bis(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 163900393

Frequently Asked Questions

What is the IUPAC name of 6-[[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]-methylamino]-2-N,4-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]-methylamino]-2-N,4-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 91080942) is 6-[[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]-methylamino]-2-N,4-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]-methylamino]-2-N,4-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]-methylamino]-2-N,4-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CN(c1nc(NC2CC(C)(C)N(O)C(C)(C)C2)nc(N(C2CC(C)(C)N(O)C(C)(C)C2)C2CC(C)(C)N(O)C(C)(C)C2)n1)N(C)c1nc(NC2CC(C)(C)N(O)C(C)(C)C2)nc(N(C2CC(C)(C)N(O)C(C)(C)C2)C2CC(C)(C)N(O)C(C)(C)C2)n1.
What is the InChIKey of 6-[[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]-methylamino]-2-N,4-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is TUTHPUBTECOSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H116N18O6/c1-51(2)27-39(28-52(3,4)75(51)81)63-45-65-47(69-49(67-45)73(41-31-55(9,10)77(83)56(11,12)32-41)42-33-57(13,14)78(84)58(15,16)34-42)71(25)72(26)48-66-46(64-40-29-53(5,6)76(82)54(7,8)30-40)68-50(70-48)74(43-35-59(17,18)79(85)60(19,20)36-43)44-37-61(21,22)80(86)62(23,24)38-44/h39-44,81-86H,27-38H2,1-26H3,(H,63,65,67,69)(H,64,66,68,70).
What are the key properties of 6-[[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]-methylamino]-2-N,4-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
6-[[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]-methylamino]-2-N,4-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 1209.73 g/mol, XLogP of 10.45, 13 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]-methylamino]-2-N,4-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 91080942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).