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6294-69-5 molecular structure
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3-bromo-5,6-dimethylpyrazin-2-amine

ChemBase ID: 803963
Molecular Formular: C6H8BrN3
Molecular Mass: 202.05182
Monoisotopic Mass: 200.99015927
SMILES and InChIs

SMILES:
c1(c(nc(c(n1)C)C)N)Br
Canonical SMILES:
Cc1nc(Br)c(nc1C)N
InChI:
InChI=1S/C6H8BrN3/c1-3-4(2)10-6(8)5(7)9-3/h1-2H3,(H2,8,10)
InChIKey:
XMDSQJUFCJOKCI-UHFFFAOYSA-N

Cite this record

CBID:803963 http://www.chembase.cn/molecule-803963.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-5,6-dimethylpyrazin-2-amine
IUPAC Traditional name
3-bromo-5,6-dimethylpyrazin-2-amine
Synonyms
3-BROMO-5,6-DIMETHYLPYRAZIN-2-AMINE
CAS Number
6294-69-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20726 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20726 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.135603  H Acceptors
H Donor LogD (pH = 5.5) 0.54030234 
LogD (pH = 7.4) 0.5404457  Log P 0.54044753 
Molar Refractivity 44.4061 cm3 Polarizability 16.190544 Å3
Polar Surface Area 51.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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