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

C19H17F3N4O2 — CID 58040453

IUPAC4-ethoxy-6-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C19H17F3N4O2/c1-3-28-18-25-16(12-7-9-15(27-2)10-8-12)24-17(26-18)23-14-6-4-5-13(11-14)19(20,21)22/h4-11H,3H2,1-2H3,(H,23,24,25,26)
InChIKeyUAMVEMKRBCNKAE-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.71
Rot. Bonds6

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

4-ethoxy-6-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 58040453) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-ethoxy-6-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID58040453
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name4-ethoxy-6-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C19H17F3N4O2/c1-3-28-18-25-16(12-7-9-15(27-2)10-8-12)24-17(26-18)23-14-6-4-5-13(11-14)19(20,21)22/h4-11H,3H2,1-2H3,(H,23,24,25,26)
InChIKeyUAMVEMKRBCNKAE-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 58040453) is 4-ethoxy-6-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is CCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2ccc(OC)cc2)n1.
What is the InChIKey of 4-ethoxy-6-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is UAMVEMKRBCNKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-3-28-18-25-16(12-7-9-15(27-2)10-8-12)24-17(26-18)23-14-6-4-5-13(11-14)19(20,21)22/h4-11H,3H2,1-2H3,(H,23,24,25,26).
What are the key properties of 4-ethoxy-6-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
4-ethoxy-6-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 390.37 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58040453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).