6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine

C11H6BrF4N3O — CID 102747823

IUPAC6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESNc1cc(Br)nc(Oc2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C11H6BrF4N3O/c12-8-4-9(17)19-10(18-8)20-5-1-2-7(13)6(3-5)11(14,15)16/h1-4H,(H2,17,18,19)
InChIKeySGSQOZIYROQPLD-UHFFFAOYSA-N
MW352.09 g/mol
LogP3.77
Rot. Bonds2

About 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine

6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine (PubChem CID 102747823) has the molecular formula C11H6BrF4N3O and a molecular weight of 352.09 g/mol. Its IUPAC name is 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
PubChem CID102747823
Molecular FormulaC11H6BrF4N3O
Molecular Weight352.09 g/mol
Exact Mass350.96
IUPAC Name6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESNc1cc(Br)nc(Oc2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C11H6BrF4N3O/c12-8-4-9(17)19-10(18-8)20-5-1-2-7(13)6(3-5)11(14,15)16/h1-4H,(H2,17,18,19)
InChIKeySGSQOZIYROQPLD-UHFFFAOYSA-N
XLogP3.77
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.09
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine
CID 116797923
2-bromo-4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 86637885
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methylsulfanylpyrimidine
CID 67661500
6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine
CID 116797683
4-(3-bromo-4-fluorophenoxy)-2-(trifluoromethyl)aniline
CID 83232506
6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746921
4-(3,4-dichlorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-methylsulfanylpyrimidine
CID 15477725
6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine
CID 102723602
2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidine-4-carboxylic acid
CID 107555049
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine
CID 11360535
5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 103583775
5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746895

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine (CID 102747823) is 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine is Nc1cc(Br)nc(Oc2ccc(F)c(C(F)(F)F)c2)n1.
What is the InChIKey of 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The InChIKey is SGSQOZIYROQPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF4N3O/c12-8-4-9(17)19-10(18-8)20-5-1-2-7(13)6(3-5)11(14,15)16/h1-4H,(H2,17,18,19).
What are the key properties of 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine has a molecular weight of 352.09 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 102747823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).