3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine

C11H10BrN3O — CID 112559163

IUPAC3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine
SMILESCOc1ccc(-c2nccnc2N)cc1Br
InChIInChI=1S/C11H10BrN3O/c1-16-9-3-2-7(6-8(9)12)10-11(13)15-5-4-14-10/h2-6H,1H3,(H2,13,15)
InChIKeyIMWDTKYWKYEGIA-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.50
Rot. Bonds2

About 3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine

3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine (PubChem CID 112559163) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine
PubChem CID112559163
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine
SMILESCOc1ccc(-c2nccnc2N)cc1Br
InChIInChI=1S/C11H10BrN3O/c1-16-9-3-2-7(6-8(9)12)10-11(13)15-5-4-14-10/h2-6H,1H3,(H2,13,15)
InChIKeyIMWDTKYWKYEGIA-UHFFFAOYSA-N
XLogP2.50
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine
CID 112559128
3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine
CID 112559397
5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine
CID 86000885
2-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]ethanamine
CID 82135072
[4-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]methanethiol
CID 116900340
[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine
CID 82134755
5-(3-bromo-4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3614347
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole
CID 115051830
4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 746809
2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62201562
2-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 23075532

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine (CID 112559163) is 3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine is COc1ccc(-c2nccnc2N)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine?
The InChIKey is IMWDTKYWKYEGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-16-9-3-2-7(6-8(9)12)10-11(13)15-5-4-14-10/h2-6H,1H3,(H2,13,15).
What are the key properties of 3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine?
3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine has a molecular weight of 280.12 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 112559163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).