4-(4-bromo-2,6-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine

C11H5BrF5N3O — CID 157040456

IUPAC4-(4-bromo-2,6-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(Oc2c(F)cc(Br)cc2F)cc(C(F)(F)F)n1
InChIInChI=1S/C11H5BrF5N3O/c12-4-1-5(13)9(6(14)2-4)21-8-3-7(11(15,16)17)19-10(18)20-8/h1-3H,(H2,18,19,20)
InChIKeyGXLBZCOVVKNAKA-UHFFFAOYSA-N
MW370.08 g/mol
LogP3.91
Rot. Bonds2

About 4-(4-bromo-2,6-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-bromo-2,6-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 157040456) has the molecular formula C11H5BrF5N3O and a molecular weight of 370.08 g/mol. Its IUPAC name is 4-(4-bromo-2,6-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-2,6-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID157040456
Molecular FormulaC11H5BrF5N3O
Molecular Weight370.08 g/mol
Exact Mass368.95
IUPAC Name4-(4-bromo-2,6-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(Oc2c(F)cc(Br)cc2F)cc(C(F)(F)F)n1
InChIInChI=1S/C11H5BrF5N3O/c12-4-1-5(13)9(6(14)2-4)21-8-3-7(11(15,16)17)19-10(18)20-8/h1-3H,(H2,18,19,20)
InChIKeyGXLBZCOVVKNAKA-UHFFFAOYSA-N
XLogP3.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.08
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Bromophenoxy)-4,6-dimethylpyrimidine
CID 734495
2-(2,4-Dibromophenoxy)-4,6-dimethylpyrimidine
CID 978796
2-Amino-4-phenoxy-6-methylpyrimidine
CID 676911
4-Fluoro-6-phenoxypyrimidin-2-amine
CID 748216
4-(2,4-Difluorophenoxy)-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 1474998
N-ethyl-4-(4-fluorophenoxy)-6-(trifluoromethyl)-2-pyrimidinamine
CID 1483248
4-Fluoro-6-(4-fluorophenoxy)pyrimidin-2-amine
CID 4237347
4-Fluoro-6-(2-fluorophenoxy)-2-pyrimidinamine
CID 4527978
4-(2-Fluorophenoxy)-6-methylpyrimidin-2-amine
CID 5205833
2-(2-Fluorophenoxy)-4,6-dimethylpyrimidine
CID 671376
4-(4-Bromophenoxy)-6-methylpyrimidin-2-amine
CID 24248957
4,6-Bis(4-bromophenoxy)pyrimidin-2-amine
CID 4653404

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,6-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-bromo-2,6-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine (CID 157040456) is 4-(4-bromo-2,6-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromo-2,6-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-bromo-2,6-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine is Nc1nc(Oc2c(F)cc(Br)cc2F)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(4-bromo-2,6-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GXLBZCOVVKNAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF5N3O/c12-4-1-5(13)9(6(14)2-4)21-8-3-7(11(15,16)17)19-10(18)20-8/h1-3H,(H2,18,19,20).
What are the key properties of 4-(4-bromo-2,6-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-bromo-2,6-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 370.08 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,6-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 157040456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).