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

C19H17F3N4O2 — CID 164616445

IUPAC4-ethyl-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESCCc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C19H17F3N4O2/c1-3-16-24-17(12-4-8-14(27-2)9-5-12)26-18(25-16)23-13-6-10-15(11-7-13)28-19(20,21)22/h4-11H,3H2,1-2H3,(H,23,24,25,26)
InChIKeyHTMKRGARYLIMGL-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.75
Rot. Bonds6

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

4-ethyl-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (PubChem CID 164616445) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-ethyl-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
PubChem CID164616445
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name4-ethyl-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESCCc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C19H17F3N4O2/c1-3-16-24-17(12-4-8-14(27-2)9-5-12)26-18(25-16)23-13-6-10-15(11-7-13)28-19(20,21)22/h4-11H,3H2,1-2H3,(H,23,24,25,26)
InChIKeyHTMKRGARYLIMGL-UHFFFAOYSA-N
XLogP4.75
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-6-(4-methoxyphenyl)-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-ethyl-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethyl-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (CID 164616445) is 4-ethyl-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethyl-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethyl-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is CCc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC)cc2)n1.
What is the InChIKey of 4-ethyl-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is HTMKRGARYLIMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-3-16-24-17(12-4-8-14(27-2)9-5-12)26-18(25-16)23-13-6-10-15(11-7-13)28-19(20,21)22/h4-11H,3H2,1-2H3,(H,23,24,25,26).
What are the key properties of 4-ethyl-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
4-ethyl-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 390.37 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 164616445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).