1-[6-(2,5-dibromo-4-methoxyphenoxy)pyrazin-2-yl]-N-methylmethanamine

C13H13Br2N3O2 — CID 79404096

IUPAC1-[6-(2,5-dibromo-4-methoxyphenoxy)pyrazin-2-yl]-N-methylmethanamine
SMILESCNCc1cncc(Oc2cc(Br)c(OC)cc2Br)n1
InChIInChI=1S/C13H13Br2N3O2/c1-16-5-8-6-17-7-13(18-8)20-12-4-9(14)11(19-2)3-10(12)15/h3-4,6-7,16H,5H2,1-2H3
InChIKeyFGHDVEDFWCOXQA-UHFFFAOYSA-N
MW403.07 g/mol
LogP3.52
Rot. Bonds5

About 1-[6-(2,5-dibromo-4-methoxyphenoxy)pyrazin-2-yl]-N-methylmethanamine

1-[6-(2,5-dibromo-4-methoxyphenoxy)pyrazin-2-yl]-N-methylmethanamine (PubChem CID 79404096) has the molecular formula C13H13Br2N3O2 and a molecular weight of 403.07 g/mol. Its IUPAC name is 1-[6-(2,5-dibromo-4-methoxyphenoxy)pyrazin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(2,5-dibromo-4-methoxyphenoxy)pyrazin-2-yl]-N-methylmethanamine
PubChem CID79404096
Molecular FormulaC13H13Br2N3O2
Molecular Weight403.07 g/mol
Exact Mass400.94
IUPAC Name1-[6-(2,5-dibromo-4-methoxyphenoxy)pyrazin-2-yl]-N-methylmethanamine
SMILESCNCc1cncc(Oc2cc(Br)c(OC)cc2Br)n1
InChIInChI=1S/C13H13Br2N3O2/c1-16-5-8-6-17-7-13(18-8)20-12-4-9(14)11(19-2)3-10(12)15/h3-4,6-7,16H,5H2,1-2H3
InChIKeyFGHDVEDFWCOXQA-UHFFFAOYSA-N
XLogP3.52
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.07
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine
CID 66450805
N-methyl-1-(6-naphthalen-1-yloxypyrazin-2-yl)methanamine
CID 66450632
N-methyl-1-(6-naphthalen-2-yloxypyrazin-2-yl)methanamine
CID 66450822
1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 79406807
N,N-dimethyl-3-[6-(methylaminomethyl)pyrazin-2-yl]oxyaniline
CID 66449849
[4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol
CID 107744185
[6-(2-bromo-4-methylphenoxy)pyrazin-2-yl]methanol
CID 66467768
N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66450804
N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 66467274
1-[4-[(2,5-dibromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 79403792
1-[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrazin-2-yl]-N-methylmethanamine
CID 102723146
[6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938302

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,5-dibromo-4-methoxyphenoxy)pyrazin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(2,5-dibromo-4-methoxyphenoxy)pyrazin-2-yl]-N-methylmethanamine (CID 79404096) is 1-[6-(2,5-dibromo-4-methoxyphenoxy)pyrazin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(2,5-dibromo-4-methoxyphenoxy)pyrazin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(2,5-dibromo-4-methoxyphenoxy)pyrazin-2-yl]-N-methylmethanamine is CNCc1cncc(Oc2cc(Br)c(OC)cc2Br)n1.
What is the InChIKey of 1-[6-(2,5-dibromo-4-methoxyphenoxy)pyrazin-2-yl]-N-methylmethanamine?
The InChIKey is FGHDVEDFWCOXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3O2/c1-16-5-8-6-17-7-13(18-8)20-12-4-9(14)11(19-2)3-10(12)15/h3-4,6-7,16H,5H2,1-2H3.
What are the key properties of 1-[6-(2,5-dibromo-4-methoxyphenoxy)pyrazin-2-yl]-N-methylmethanamine?
1-[6-(2,5-dibromo-4-methoxyphenoxy)pyrazin-2-yl]-N-methylmethanamine has a molecular weight of 403.07 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,5-dibromo-4-methoxyphenoxy)pyrazin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 79404096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).