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

C20H18F4N4O — CID 58040319

IUPAC4-ethoxy-N-[(4-fluorophenyl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cc2cccc(C(F)(F)F)c2)nc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C20H18F4N4O/c1-2-29-19-27-17(11-14-4-3-5-15(10-14)20(22,23)24)26-18(28-19)25-12-13-6-8-16(21)9-7-13/h3-10H,2,11-12H2,1H3,(H,25,26,27,28)
InChIKeyXVVLVJFYSXVOIG-UHFFFAOYSA-N
MW406.38 g/mol
LogP4.63
Rot. Bonds7

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

4-ethoxy-N-[(4-fluorophenyl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (PubChem CID 58040319) has the molecular formula C20H18F4N4O and a molecular weight of 406.38 g/mol. Its IUPAC name is 4-ethoxy-N-[(4-fluorophenyl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[(4-fluorophenyl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
PubChem CID58040319
Molecular FormulaC20H18F4N4O
Molecular Weight406.38 g/mol
Exact Mass406.14
IUPAC Name4-ethoxy-N-[(4-fluorophenyl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cc2cccc(C(F)(F)F)c2)nc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C20H18F4N4O/c1-2-29-19-27-17(11-14-4-3-5-15(10-14)20(22,23)24)26-18(28-19)25-12-13-6-8-16(21)9-7-13/h3-10H,2,11-12H2,1H3,(H,25,26,27,28)
InChIKeyXVVLVJFYSXVOIG-UHFFFAOYSA-N
XLogP4.63
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(4-fluorophenyl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-[(4-fluorophenyl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (CID 58040319) is 4-ethoxy-N-[(4-fluorophenyl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[(4-fluorophenyl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-[(4-fluorophenyl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is CCOc1nc(Cc2cccc(C(F)(F)F)c2)nc(NCc2ccc(F)cc2)n1.
What is the InChIKey of 4-ethoxy-N-[(4-fluorophenyl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is XVVLVJFYSXVOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O/c1-2-29-19-27-17(11-14-4-3-5-15(10-14)20(22,23)24)26-18(28-19)25-12-13-6-8-16(21)9-7-13/h3-10H,2,11-12H2,1H3,(H,25,26,27,28).
What are the key properties of 4-ethoxy-N-[(4-fluorophenyl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
4-ethoxy-N-[(4-fluorophenyl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 406.38 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(4-fluorophenyl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58040319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).