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

C18H15F3N4O2 — CID 164627331

IUPAC4-(4-methoxyphenyl)-6-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(C)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H15F3N4O2/c1-11-22-16(12-3-7-14(26-2)8-4-12)25-17(23-11)24-13-5-9-15(10-6-13)27-18(19,20)21/h3-10H,1-2H3,(H,22,23,24,25)
InChIKeyCDNAIRCRGNHFNW-UHFFFAOYSA-N
MW376.34 g/mol
LogP4.50
Rot. Bonds5

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

4-(4-methoxyphenyl)-6-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (PubChem CID 164627331) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
PubChem CID164627331
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name4-(4-methoxyphenyl)-6-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(C)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H15F3N4O2/c1-11-22-16(12-3-7-14(26-2)8-4-12)25-17(23-11)24-13-5-9-15(10-6-13)27-18(19,20)21/h3-10H,1-2H3,(H,22,23,24,25)
InChIKeyCDNAIRCRGNHFNW-UHFFFAOYSA-N
XLogP4.50
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-6-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (CID 164627331) is 4-(4-methoxyphenyl)-6-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-6-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is COc1ccc(-c2nc(C)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is CDNAIRCRGNHFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-11-22-16(12-3-7-14(26-2)8-4-12)25-17(23-11)24-13-5-9-15(10-6-13)27-18(19,20)21/h3-10H,1-2H3,(H,22,23,24,25).
What are the key properties of 4-(4-methoxyphenyl)-6-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
4-(4-methoxyphenyl)-6-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 376.34 g/mol, XLogP of 4.50, 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-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 164627331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).