6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine

C12H12BrN3O — CID 80859491

IUPAC6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine
SMILESCNc1cncc(Oc2ccc(C)cc2Br)n1
InChIInChI=1S/C12H12BrN3O/c1-8-3-4-10(9(13)5-8)17-12-7-15-6-11(14-2)16-12/h3-7H,1-2H3,(H,14,16)
InChIKeyKWSQDJGXPGRGJJ-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.38
Rot. Bonds3

About 6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine

6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine (PubChem CID 80859491) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine
PubChem CID80859491
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine
SMILESCNc1cncc(Oc2ccc(C)cc2Br)n1
InChIInChI=1S/C12H12BrN3O/c1-8-3-4-10(9(13)5-8)17-12-7-15-6-11(14-2)16-12/h3-7H,1-2H3,(H,14,16)
InChIKeyKWSQDJGXPGRGJJ-UHFFFAOYSA-N
XLogP3.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-bromo-4-methylphenoxy)pyrazin-2-yl]hydrazine
CID 80912756
6-(2-bromophenoxy)-N-methylpyrazin-2-amine
CID 80860426
N-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrazin-2-amine
CID 80863610
[6-(2-bromo-4-methylphenoxy)pyrazin-2-yl]methanol
CID 66467768
6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine
CID 80881350
6-(2-bromo-4-methylphenoxy)-N-methylpyrimidin-4-amine
CID 80860088
6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine
CID 115403123
2-(2-bromo-4-methylphenoxy)pyrazine
CID 28602476
6-(2-bromo-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80860264
6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80877840
6-(2-ethylphenoxy)-N-methylpyrazin-2-amine
CID 80875842
6-(2,4-dimethylphenoxy)-N-methylpyridin-2-amine
CID 80863130

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine?
The IUPAC name of 6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine (CID 80859491) is 6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine?
The canonical SMILES for 6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine is CNc1cncc(Oc2ccc(C)cc2Br)n1.
What is the InChIKey of 6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine?
The InChIKey is KWSQDJGXPGRGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-3-4-10(9(13)5-8)17-12-7-15-6-11(14-2)16-12/h3-7H,1-2H3,(H,14,16).
What are the key properties of 6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine?
6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine has a molecular weight of 294.15 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine is sourced from PubChem (CID 80859491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).