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

C24H20F3N5O2 — CID 164610876

IUPAC6-(4-methoxyphenyl)-2-N-methyl-2-N-phenyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(-c2nc(Nc3ccc(OC(F)(F)F)cc3)nc(N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C24H20F3N5O2/c1-32(18-6-4-3-5-7-18)23-30-21(16-8-12-19(33-2)13-9-16)29-22(31-23)28-17-10-14-20(15-11-17)34-24(25,26)27/h3-15H,1-2H3,(H,28,29,30,31)
InChIKeyDXWCDNLDNYZVHW-UHFFFAOYSA-N
MW467.45 g/mol
LogP5.96
Rot. Bonds7

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

6-(4-methoxyphenyl)-2-N-methyl-2-N-phenyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 164610876) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-N-methyl-2-N-phenyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-N-methyl-2-N-phenyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID164610876
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC Name6-(4-methoxyphenyl)-2-N-methyl-2-N-phenyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(-c2nc(Nc3ccc(OC(F)(F)F)cc3)nc(N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C24H20F3N5O2/c1-32(18-6-4-3-5-7-18)23-30-21(16-8-12-19(33-2)13-9-16)29-22(31-23)28-17-10-14-20(15-11-17)34-24(25,26)27/h3-15H,1-2H3,(H,28,29,30,31)
InChIKeyDXWCDNLDNYZVHW-UHFFFAOYSA-N
XLogP5.96
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.45
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-N-methyl-2-N-phenyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-methoxyphenyl)-2-N-methyl-2-N-phenyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine (CID 164610876) is 6-(4-methoxyphenyl)-2-N-methyl-2-N-phenyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-N-methyl-2-N-phenyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-methoxyphenyl)-2-N-methyl-2-N-phenyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine is COc1ccc(-c2nc(Nc3ccc(OC(F)(F)F)cc3)nc(N(C)c3ccccc3)n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-N-methyl-2-N-phenyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is DXWCDNLDNYZVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c1-32(18-6-4-3-5-7-18)23-30-21(16-8-12-19(33-2)13-9-16)29-22(31-23)28-17-10-14-20(15-11-17)34-24(25,26)27/h3-15H,1-2H3,(H,28,29,30,31).
What are the key properties of 6-(4-methoxyphenyl)-2-N-methyl-2-N-phenyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine?
6-(4-methoxyphenyl)-2-N-methyl-2-N-phenyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 467.45 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-N-methyl-2-N-phenyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 164610876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).