4-(4-methoxyphenyl)-6-[2-(2-methoxyphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine

C26H19F3N4O3 — CID 166452190

IUPAC4-(4-methoxyphenyl)-6-[2-(2-methoxyphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(C#Cc3ccccc3OC)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C26H19F3N4O3/c1-34-20-12-7-18(8-13-20)24-31-23(16-9-17-5-3-4-6-22(17)35-2)32-25(33-24)30-19-10-14-21(15-11-19)36-26(27,28)29/h3-8,10-15H,1-2H3,(H,30,31,32,33)
InChIKeyUAKVMIUBSWSJAK-UHFFFAOYSA-N
MW492.46 g/mol
LogP5.60
Rot. Bonds6

About 4-(4-methoxyphenyl)-6-[2-(2-methoxyphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine

4-(4-methoxyphenyl)-6-[2-(2-methoxyphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (PubChem CID 166452190) has the molecular formula C26H19F3N4O3 and a molecular weight of 492.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-[2-(2-methoxyphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-[2-(2-methoxyphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
PubChem CID166452190
Molecular FormulaC26H19F3N4O3
Molecular Weight492.46 g/mol
Exact Mass492.14
IUPAC Name4-(4-methoxyphenyl)-6-[2-(2-methoxyphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(C#Cc3ccccc3OC)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C26H19F3N4O3/c1-34-20-12-7-18(8-13-20)24-31-23(16-9-17-5-3-4-6-22(17)35-2)32-25(33-24)30-19-10-14-21(15-11-19)36-26(27,28)29/h3-8,10-15H,1-2H3,(H,30,31,32,33)
InChIKeyUAKVMIUBSWSJAK-UHFFFAOYSA-N
XLogP5.60
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.46
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methoxyphenyl)-4-N-methyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164613485
6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164628688
4-N-(4-methoxyphenyl)-6-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]pyrimidine-2,4-diamine
CID 72163601
N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine
CID 162656789
N-[4-[4-chloro-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]acetamide
CID 164611022
4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164612435
6-(4-methoxyphenyl)-4-N-propyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164614135
4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164614490
4-ethyl-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164616445
4-(4-methoxyphenyl)-6-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164627331
4-(4-methoxyphenyl)-6-prop-1-ynyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164627909
2-t-Butylethynyl-4,6-di(4'-methoxyanilino)-1,3,5-triazine
CID 44396448

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-[2-(2-methoxyphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-6-[2-(2-methoxyphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (CID 166452190) is 4-(4-methoxyphenyl)-6-[2-(2-methoxyphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-[2-(2-methoxyphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-6-[2-(2-methoxyphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is COc1ccc(-c2nc(C#Cc3ccccc3OC)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-[2-(2-methoxyphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is UAKVMIUBSWSJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N4O3/c1-34-20-12-7-18(8-13-20)24-31-23(16-9-17-5-3-4-6-22(17)35-2)32-25(33-24)30-19-10-14-21(15-11-19)36-26(27,28)29/h3-8,10-15H,1-2H3,(H,30,31,32,33).
What are the key properties of 4-(4-methoxyphenyl)-6-[2-(2-methoxyphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
4-(4-methoxyphenyl)-6-[2-(2-methoxyphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 492.46 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-[2-(2-methoxyphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 166452190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).