6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine

C24H27F6N7 — CID 56647176

IUPAC6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)CCCNc1nc(NCc2ccc(C(F)(F)F)cc2)nc(NCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C24H27F6N7/c1-37(2)13-3-12-31-20-34-21(32-14-16-4-8-18(9-5-16)23(25,26)27)36-22(35-20)33-15-17-6-10-19(11-7-17)24(28,29)30/h4-11H,3,12-15H2,1-2H3,(H3,31,32,33,34,35,36)
InChIKeyXGJLXNSFHIIVQQ-UHFFFAOYSA-N
MW527.52 g/mol
LogP5.50
Rot. Bonds11

About 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine

6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 56647176) has the molecular formula C24H27F6N7 and a molecular weight of 527.52 g/mol. Its IUPAC name is 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID56647176
Molecular FormulaC24H27F6N7
Molecular Weight527.52 g/mol
Exact Mass527.22
IUPAC Name6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)CCCNc1nc(NCc2ccc(C(F)(F)F)cc2)nc(NCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C24H27F6N7/c1-37(2)13-3-12-31-20-34-21(32-14-16-4-8-18(9-5-16)23(25,26)27)36-22(35-20)33-15-17-6-10-19(11-7-17)24(28,29)30/h4-11H,3,12-15H2,1-2H3,(H3,31,32,33,34,35,36)
InChIKeyXGJLXNSFHIIVQQ-UHFFFAOYSA-N
XLogP5.50
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.52
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

Almitrine
CID 33887
4-N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4,6-triamine
CID 9864569
2-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-N-[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 44393045
N-benzyl-N'-(tert-butyl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 778757
N,N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 1248583
2-N-(1-phenylethyl)-4-N-(3-phenylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 44393001
2-N-[1-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine
CID 44393075
n2,n4-Bis(4-fluorophenethyl)-n6-(3-(dimethylamino)propyl)-1,3,5-triazine-2,4,6-triamine
CID 56643402
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56646927
6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56647584
2-[4-[[4,6-Bis[2-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]butyl]guanidine
CID 56647650
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine
CID 56647766

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine (CID 56647176) is 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine is CN(C)CCCNc1nc(NCc2ccc(C(F)(F)F)cc2)nc(NCc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XGJLXNSFHIIVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F6N7/c1-37(2)13-3-12-31-20-34-21(32-14-16-4-8-18(9-5-16)23(25,26)27)36-22(35-20)33-15-17-6-10-19(11-7-17)24(28,29)30/h4-11H,3,12-15H2,1-2H3,(H3,31,32,33,34,35,36).
What are the key properties of 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine?
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 527.52 g/mol, XLogP of 5.50, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 56647176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).