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

C36H63Cl2N11O3 — CID 11970896

IUPAC6-chloro-4-N-[4-chloro-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-2-N,4-N-bis(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCOCCCN(c1nc(Cl)nc(N(CCCOC)C2CC(C)(C)NC(C)(C)C2)n1)c1nc(Cl)nc(N(CCCOC)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C36H63Cl2N11O3/c1-33(2)21-25(22-34(3,4)45-33)47(15-12-18-50-9)29-39-27(37)41-31(43-29)49(17-14-20-52-11)32-42-28(38)40-30(44-32)48(16-13-19-51-10)26-23-35(5,6)46-36(7,8)24-26/h25-26,45-46H,12-24H2,1-11H3
InChIKeyFCOVUJOIIADTQB-UHFFFAOYSA-N
MW768.88 g/mol
LogP5.84
Rot. Bonds18

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

6-chloro-4-N-[4-chloro-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-2-N,4-N-bis(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 11970896) has the molecular formula C36H63Cl2N11O3 and a molecular weight of 768.88 g/mol. Its IUPAC name is 6-chloro-4-N-[4-chloro-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-2-N,4-N-bis(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[4-chloro-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-2-N,4-N-bis(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID11970896
Molecular FormulaC36H63Cl2N11O3
Molecular Weight768.88 g/mol
Exact Mass767.45
IUPAC Name6-chloro-4-N-[4-chloro-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-2-N,4-N-bis(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCOCCCN(c1nc(Cl)nc(N(CCCOC)C2CC(C)(C)NC(C)(C)C2)n1)c1nc(Cl)nc(N(CCCOC)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C36H63Cl2N11O3/c1-33(2)21-25(22-34(3,4)45-33)47(15-12-18-50-9)29-39-27(37)41-31(43-29)49(17-14-20-52-11)32-42-28(38)40-30(44-32)48(16-13-19-51-10)26-23-35(5,6)46-36(7,8)24-26/h25-26,45-46H,12-24H2,1-11H3
InChIKeyFCOVUJOIIADTQB-UHFFFAOYSA-N
XLogP5.84
TPSA138.81 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500768.88
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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

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Related Compounds

Poly[N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-1,6-hexanediamine-co-2,4-dichloro-6-morpholino-1,3,5-triazine]
CID 157869
1,3,5-Triazine-2,4,6-triamine, N,N',N''-tributyl-N,N',N''-tris(2,2,6,6-tetramethyl-4-piperidinyl)-
CID 156239
6-Chloro-N,N'-bis(3-methoxypropyl)-N,N'-bis(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazine-2,4-diamine
CID 11970672
4-N-butyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 21697878
1,3,5-Triazine-2,4,6-triamine, N,N'''-1,2-ethanediylbis(N-(3-((4,6-bis((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)propyl)-N',N''-bis(3-methoxypropyl)-N',N''-bis(2,2,6,6-tetramethyl-4-piperidinyl)-
CID 102438383
N,N'-Dibutyl-N-(4-(butyl(2,2,6,6-tetramethyl-4-piperidyl)amino)-6-chloro-1,3,5-triazin-2-yl)-6-chloro-N'-(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazine-2,4-diamine
CID 11970990
Ethanol, 2-((4,6-bis((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)(2-((4,6-bis((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)ethyl)amino)-
CID 56842648
1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N''-pentakis(3-((4,6-bis((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)propyl)-N''-(3-((4-((3-(dimethylamino)propyl)amino)-6-((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)propyl)-
CID 131632934
6-morpholin-4-yl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 6611169
4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 14365123
4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 14365131
6-chloro-4-N-[6-[[4-chloro-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
CID 19090182

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[4-chloro-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-2-N,4-N-bis(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[4-chloro-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-2-N,4-N-bis(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 11970896) is 6-chloro-4-N-[4-chloro-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-2-N,4-N-bis(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[4-chloro-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-2-N,4-N-bis(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[4-chloro-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-2-N,4-N-bis(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is COCCCN(c1nc(Cl)nc(N(CCCOC)C2CC(C)(C)NC(C)(C)C2)n1)c1nc(Cl)nc(N(CCCOC)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of 6-chloro-4-N-[4-chloro-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-2-N,4-N-bis(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FCOVUJOIIADTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H63Cl2N11O3/c1-33(2)21-25(22-34(3,4)45-33)47(15-12-18-50-9)29-39-27(37)41-31(43-29)49(17-14-20-52-11)32-42-28(38)40-30(44-32)48(16-13-19-51-10)26-23-35(5,6)46-36(7,8)24-26/h25-26,45-46H,12-24H2,1-11H3.
What are the key properties of 6-chloro-4-N-[4-chloro-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-2-N,4-N-bis(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-[4-chloro-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-2-N,4-N-bis(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 768.88 g/mol, XLogP of 5.84, 18 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[4-chloro-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-2-N,4-N-bis(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11970896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).