6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C12H8BrF4N3O — CID 106774691

IUPAC6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Oc2cc(F)cc(Br)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H8BrF4N3O/c1-18-9-5-10(20-11(19-9)12(15,16)17)21-8-3-6(13)2-7(14)4-8/h2-5H,1H3,(H,18,19,20)
InChIKeySLJGQNGMJOLKLA-UHFFFAOYSA-N
MW366.11 g/mol
LogP4.23
Rot. Bonds3

About 6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774691) has the molecular formula C12H8BrF4N3O and a molecular weight of 366.11 g/mol. Its IUPAC name is 6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774691
Molecular FormulaC12H8BrF4N3O
Molecular Weight366.11 g/mol
Exact Mass364.98
IUPAC Name6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Oc2cc(F)cc(Br)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H8BrF4N3O/c1-18-9-5-10(20-11(19-9)12(15,16)17)21-8-3-6(13)2-7(14)4-8/h2-5H,1H3,(H,18,19,20)
InChIKeySLJGQNGMJOLKLA-UHFFFAOYSA-N
XLogP4.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.11
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-dichlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774251
6-(3-chloro-4-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774577
2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80965315
6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774162
[6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 81325647
N-methyl-6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774804
N-methyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774851
[6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776384
4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 81326185
N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774661
[6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776480
6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 81325950

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774691) is 6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(Oc2cc(F)cc(Br)c2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SLJGQNGMJOLKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF4N3O/c1-18-9-5-10(20-11(19-9)12(15,16)17)21-8-3-6(13)2-7(14)4-8/h2-5H,1H3,(H,18,19,20).
What are the key properties of 6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 366.11 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).