6-[4-[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine

C62H116N16 — CID 54146701

IUPAC6-[4-[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(CCCCNc2nc(NCCCCC3CC(C)(C)NC(C)(C)C3)nc(N3CCN(c4nc(NCCCCC5CC(C)(C)NC(C)(C)C5)nc(NCCCCC5CC(C)(C)NC(C)(C)C5)n4)CC3)n2)CC(C)(C)N1
InChIInChI=1S/C62H116N16/c1-55(2)37-45(38-56(3,4)73-55)25-17-21-29-63-49-67-50(64-30-22-18-26-46-39-57(5,6)74-58(7,8)40-46)70-53(69-49)77-33-35-78(36-34-77)54-71-51(65-31-23-19-27-47-41-59(9,10)75-60(11,12)42-47)68-52(72-54)66-32-24-20-28-48-43-61(13,14)76-62(15,16)44-48/h45-48,73-76H,17-44H2,1-16H3,(H2,63,64,67,69,70)(H2,65,66,68,71,72)
InChIKeyOEWWDWDRETVYOE-UHFFFAOYSA-N
MW1085.72 g/mol
LogP11.94
Rot. Bonds26

About 6-[4-[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine

6-[4-[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (PubChem CID 54146701) has the molecular formula C62H116N16 and a molecular weight of 1085.72 g/mol. Its IUPAC name is 6-[4-[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
PubChem CID54146701
Molecular FormulaC62H116N16
Molecular Weight1085.72 g/mol
Exact Mass1084.96
IUPAC Name6-[4-[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(CCCCNc2nc(NCCCCC3CC(C)(C)NC(C)(C)C3)nc(N3CCN(c4nc(NCCCCC5CC(C)(C)NC(C)(C)C5)nc(NCCCCC5CC(C)(C)NC(C)(C)C5)n4)CC3)n2)CC(C)(C)N1
InChIInChI=1S/C62H116N16/c1-55(2)37-45(38-56(3,4)73-55)25-17-21-29-63-49-67-50(64-30-22-18-26-46-39-57(5,6)74-58(7,8)40-46)70-53(69-49)77-33-35-78(36-34-77)54-71-51(65-31-23-19-27-47-41-59(9,10)75-60(11,12)42-47)68-52(72-54)66-32-24-20-28-48-43-61(13,14)76-62(15,16)44-48/h45-48,73-76H,17-44H2,1-16H3,(H2,63,64,67,69,70)(H2,65,66,68,71,72)
InChIKeyOEWWDWDRETVYOE-UHFFFAOYSA-N
XLogP11.94
TPSA180.06 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001085.72
LogP ≤ 511.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 6-[4-[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-2-N-[6-[[4-chloro-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
CID 87428201
2-N,2-N-dipropyl-4-N,6-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 54147043
4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80790722
22-chloro-4-N,13-N-didodecyl-1,3,5,7,10,12,14,16,19,21,23,25,30,33,36-pentadecazaheptacyclo[23.2.2.27,10.216,19.12,6.111,15.120,24]hexatriaconta-2,4,6(36),11(33),12,14,20,22,24(30)-nonaene-4,13-diamine
CID 101021286
2-N-(2,2-dimethylcyclopropyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80794141
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
2-N-(2,2-dimethylcyclopropyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80816973
2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772042
2-N-[3-(ethylamino)propyl]-6-(4-ethylpiperazin-1-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 143143449
5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241670
6-chloro-2-N,4-N-bis[4-(1-cyclohex-3-en-1-yloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
CID 87324802
N,N'-bis[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 15333325

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (CID 54146701) is 6-[4-[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is CC1(C)CC(CCCCNc2nc(NCCCCC3CC(C)(C)NC(C)(C)C3)nc(N3CCN(c4nc(NCCCCC5CC(C)(C)NC(C)(C)C5)nc(NCCCCC5CC(C)(C)NC(C)(C)C5)n4)CC3)n2)CC(C)(C)N1.
What is the InChIKey of 6-[4-[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OEWWDWDRETVYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H116N16/c1-55(2)37-45(38-56(3,4)73-55)25-17-21-29-63-49-67-50(64-30-22-18-26-46-39-57(5,6)74-58(7,8)40-46)70-53(69-49)77-33-35-78(36-34-77)54-71-51(65-31-23-19-27-47-41-59(9,10)75-60(11,12)42-47)68-52(72-54)66-32-24-20-28-48-43-61(13,14)76-62(15,16)44-48/h45-48,73-76H,17-44H2,1-16H3,(H2,63,64,67,69,70)(H2,65,66,68,71,72).
What are the key properties of 6-[4-[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
6-[4-[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1085.72 g/mol, XLogP of 11.94, 26 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 54146701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).