4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine

C11H9BrFN3O — CID 81326185

IUPAC4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine
SMILESCc1cc(Oc2cc(F)cc(Br)c2)nc(N)n1
InChIInChI=1S/C11H9BrFN3O/c1-6-2-10(16-11(14)15-6)17-9-4-7(12)3-8(13)5-9/h2-5H,1H3,(H2,14,15,16)
InChIKeyHYILAWLGYDLFEC-UHFFFAOYSA-N
MW298.12 g/mol
LogP3.06
Rot. Bonds2

About 4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine

4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine (PubChem CID 81326185) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is 4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine
PubChem CID81326185
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine
SMILESCc1cc(Oc2cc(F)cc(Br)c2)nc(N)n1
InChIInChI=1S/C11H9BrFN3O/c1-6-2-10(16-11(14)15-6)17-9-4-7(12)3-8(13)5-9/h2-5H,1H3,(H2,14,15,16)
InChIKeyHYILAWLGYDLFEC-UHFFFAOYSA-N
XLogP3.06
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 112724301
6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 81325950
4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine
CID 114053294
4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine
CID 112724370
6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine
CID 80880795
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine
CID 83135228
2-(3-bromo-5-fluorophenoxy)-6-methoxypyridine
CID 81331550
4-(3-bromo-5-fluorophenoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 81325572
[6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 81325647
4-(3-bromo-5-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide
CID 81331605
4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333095
4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80879463

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine (CID 81326185) is 4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine is Cc1cc(Oc2cc(F)cc(Br)c2)nc(N)n1.
What is the InChIKey of 4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine?
The InChIKey is HYILAWLGYDLFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c1-6-2-10(16-11(14)15-6)17-9-4-7(12)3-8(13)5-9/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine?
4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine has a molecular weight of 298.12 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 81326185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).