CAS 24241-18-7|3,5-dibromopyrazin-2-amine|3,5-dibromopyrazin-2-amine|2-Amino-3,5-dibromopyrazine|3,5-Dibromopyrazin-2-amine|2-Amino-3,5-dibromo-1,4-diazine|3,5-dibromopyrazin-2-amine|2-氨基-3,5-二溴...

General Information

Structure

Molecular Formula

C₄H₃Br₂N₃

Molecular Mass

252.89472

Exact Mass

250.86937111

Charge

InChI

InChI=1S/C4H3Br2N3/c5-2-1-8-4(7)3(6)9-2/h1H,(H2,7,8)

InChIKey

DTLBKXRFWUERQN-UHFFFAOYSA-N

Canonic Smiles

Brc1cnc(c(n1)Br)N

Isomeric Smiles

c1(c(nc(cn1)Br)Br)N

Calculated Properties

JChem

Acid pKa

17.664335

H Acceptors

H Donor

LogD (pH = 5.5)

1.2519788

LogD (pH = 7.4)

1.2519817

Log P

1.2519819

Molar Refractivity

43.6881

Polarizability

15.982232

Polar Surface Area

51.8

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

3,5-dibromopyrazin-2-amine

IUPAC Traditional name

3,5-dibromopyrazin-2-amine

Synonyms

2-Amino-3,5-dibromopyrazine3,5-Dibromopyrazin-2-amine2-Amino-3,5-dibromo-1,4-diazine3,5-dibromopyrazin-2-amine2-氨基-3,5-二溴吡嗪3,5-Dibromopyrazin-2-ylamine2-Amino-3,5-dibromopyrazine3,5-Dibromo-2-aminopyrazine3,5-Dibromo-2-pyrazinamine3,5-Dibromopyrazine-2-ylamine

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties

Physical Property

114-117°C

114-117 °C(lit.)

114-117°C

1.514

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

494364

Packaging
1, 5 g in glass bottle

TRC

A604635

2-Amino-3,5-dibromopyrazine is used in the preparation of conjugated polymers for neurotoxin detection. 2-Amino-3,5-dibromopyrazine is an intermediate in the preparation of rho kinase (ROCK) inhibitors.

Molecule Details

References

PubChem Literature

From Data Sources

• Henderson, A.J. et al.: Bioorg. Med. Chem. Lett., 20, 1137 (2005)

• Thomas, J. et al.: Polym. Prepr., 46, 1211 (2005)

References

Bioactivity

PubChem BioAssay

Bioactivity