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

C19H17F3N4O2 — CID 117089418

IUPAC4-methoxy-6-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(NCc3cccc(C(F)(F)F)c3)nc(OC)n2)cc1
InChIInChI=1S/C19H17F3N4O2/c1-27-15-8-6-13(7-9-15)16-24-17(26-18(25-16)28-2)23-11-12-4-3-5-14(10-12)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,24,25,26)
InChIKeyJVLSLHIDAHRJEC-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.19
Rot. Bonds6

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

4-methoxy-6-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (PubChem CID 117089418) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-methoxy-6-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
PubChem CID117089418
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name4-methoxy-6-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(NCc3cccc(C(F)(F)F)c3)nc(OC)n2)cc1
InChIInChI=1S/C19H17F3N4O2/c1-27-15-8-6-13(7-9-15)16-24-17(26-18(25-16)28-2)23-11-12-4-3-5-14(10-12)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,24,25,26)
InChIKeyJVLSLHIDAHRJEC-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-6-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-(4-methoxyphenyl)-
CID 34921
6-[4-(4-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 745572
6-(4-methoxyphenyl)-4-N-methyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164613485
2-[5-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
CID 71599531
6-[4-(2-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 790865
6-(4-Phenoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 745052
6-(4-methoxyphenyl)-4-N-propyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164614135
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine
CID 71599188
4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 71599190
2-[2-Chloro-5-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599355
2-[2-Chloro-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599356
2-[2-Methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599447

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (CID 117089418) is 4-methoxy-6-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is COc1ccc(-c2nc(NCc3cccc(C(F)(F)F)c3)nc(OC)n2)cc1.
What is the InChIKey of 4-methoxy-6-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is JVLSLHIDAHRJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-27-15-8-6-13(7-9-15)16-24-17(26-18(25-16)28-2)23-11-12-4-3-5-14(10-12)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,24,25,26).
What are the key properties of 4-methoxy-6-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
4-methoxy-6-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 390.37 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 117089418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).