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

C26H19F3N4O2 — CID 164611958

IUPAC4-(4-methoxyphenyl)-6-[2-(4-methylphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(C#Cc3ccc(C)cc3)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C26H19F3N4O2/c1-17-3-5-18(6-4-17)7-16-23-31-24(19-8-12-21(34-2)13-9-19)33-25(32-23)30-20-10-14-22(15-11-20)35-26(27,28)29/h3-6,8-15H,1-2H3,(H,30,31,32,33)
InChIKeyUUDODKCKYPCHJK-UHFFFAOYSA-N
MW476.46 g/mol
LogP5.90
Rot. Bonds5

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

4-(4-methoxyphenyl)-6-[2-(4-methylphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (PubChem CID 164611958) has the molecular formula C26H19F3N4O2 and a molecular weight of 476.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-[2-(4-methylphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-[2-(4-methylphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
PubChem CID164611958
Molecular FormulaC26H19F3N4O2
Molecular Weight476.46 g/mol
Exact Mass476.15
IUPAC Name4-(4-methoxyphenyl)-6-[2-(4-methylphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(C#Cc3ccc(C)cc3)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C26H19F3N4O2/c1-17-3-5-18(6-4-17)7-16-23-31-24(19-8-12-21(34-2)13-9-19)33-25(32-23)30-20-10-14-22(15-11-20)35-26(27,28)29/h3-6,8-15H,1-2H3,(H,30,31,32,33)
InChIKeyUUDODKCKYPCHJK-UHFFFAOYSA-N
XLogP5.90
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.46
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-[2-(4-methylphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-6-[2-(4-methylphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (CID 164611958) is 4-(4-methoxyphenyl)-6-[2-(4-methylphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-[2-(4-methylphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-6-[2-(4-methylphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is COc1ccc(-c2nc(C#Cc3ccc(C)cc3)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-[2-(4-methylphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is UUDODKCKYPCHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N4O2/c1-17-3-5-18(6-4-17)7-16-23-31-24(19-8-12-21(34-2)13-9-19)33-25(32-23)30-20-10-14-22(15-11-20)35-26(27,28)29/h3-6,8-15H,1-2H3,(H,30,31,32,33).
What are the key properties of 4-(4-methoxyphenyl)-6-[2-(4-methylphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
4-(4-methoxyphenyl)-6-[2-(4-methylphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 476.46 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-[2-(4-methylphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 164611958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).