4-(4-bromo-3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine

C13H11BrF3N3O — CID 107727377

IUPAC4-(4-bromo-3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(Oc2cc(C(F)(F)F)nc(N)n2)cc(C)c1Br
InChIInChI=1S/C13H11BrF3N3O/c1-6-3-8(4-7(2)11(6)14)21-10-5-9(13(15,16)17)19-12(18)20-10/h3-5H,1-2H3,(H2,18,19,20)
InChIKeyPBHHZOJDMKGBJM-UHFFFAOYSA-N
MW362.15 g/mol
LogP4.25
Rot. Bonds2

About 4-(4-bromo-3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-bromo-3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 107727377) has the molecular formula C13H11BrF3N3O and a molecular weight of 362.15 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID107727377
Molecular FormulaC13H11BrF3N3O
Molecular Weight362.15 g/mol
Exact Mass361.00
IUPAC Name4-(4-bromo-3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(Oc2cc(C(F)(F)F)nc(N)n2)cc(C)c1Br
InChIInChI=1S/C13H11BrF3N3O/c1-6-3-8(4-7(2)11(6)14)21-10-5-9(13(15,16)17)19-12(18)20-10/h3-5H,1-2H3,(H2,18,19,20)
InChIKeyPBHHZOJDMKGBJM-UHFFFAOYSA-N
XLogP4.25
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.15
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-3,5-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 107727385
4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566565
4-(trifluoromethyl)-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
CID 114566380
4-(4-bromo-3-methylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566596
4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 81326185
ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 67833415
[4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567743
[4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 107727424
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine
CID 83135228
4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine
CID 114053294
6-(4-bromo-3,5-dimethylphenoxy)-2-methoxypyridin-3-amine
CID 107722457
4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566550

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-bromo-3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine (CID 107727377) is 4-(4-bromo-3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-bromo-3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(Oc2cc(C(F)(F)F)nc(N)n2)cc(C)c1Br.
What is the InChIKey of 4-(4-bromo-3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is PBHHZOJDMKGBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3O/c1-6-3-8(4-7(2)11(6)14)21-10-5-9(13(15,16)17)19-12(18)20-10/h3-5H,1-2H3,(H2,18,19,20).
What are the key properties of 4-(4-bromo-3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-bromo-3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 362.15 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 107727377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).