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

C17H14F3N5O2 — CID 164628688

IUPAC6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(-c2nc(N)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C17H14F3N5O2/c1-26-12-6-2-10(3-7-12)14-23-15(21)25-16(24-14)22-11-4-8-13(9-5-11)27-17(18,19)20/h2-9H,1H3,(H3,21,22,23,24,25)
InChIKeyYMLJVMWHCHKGJX-UHFFFAOYSA-N
MW377.33 g/mol
LogP3.77
Rot. Bonds5

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

6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 164628688) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID164628688
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC Name6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(-c2nc(N)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C17H14F3N5O2/c1-26-12-6-2-10(3-7-12)14-23-15(21)25-16(24-14)22-11-4-8-13(9-5-11)27-17(18,19)20/h2-9H,1H3,(H3,21,22,23,24,25)
InChIKeyYMLJVMWHCHKGJX-UHFFFAOYSA-N
XLogP3.77
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine (CID 164628688) is 6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine is COc1ccc(-c2nc(N)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is YMLJVMWHCHKGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-26-12-6-2-10(3-7-12)14-23-15(21)25-16(24-14)22-11-4-8-13(9-5-11)27-17(18,19)20/h2-9H,1H3,(H3,21,22,23,24,25).
What are the key properties of 6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine?
6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 377.33 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 164628688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).