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74290-69-0 molecular structure
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5-bromo-6-methylpyrazin-2-amine

ChemBase ID: 70689
Molecular Formular: C5H6BrN3
Molecular Mass: 188.02524
Monoisotopic Mass: 186.97450921
SMILES and InChIs

SMILES:
c1(cnc(c(n1)C)Br)N
Canonical SMILES:
Nc1cnc(c(n1)C)Br
InChI:
InChI=1S/C5H6BrN3/c1-3-5(6)8-2-4(7)9-3/h2H,1H3,(H2,7,9)
InChIKey:
YNMLUNRXLAUIDA-UHFFFAOYSA-N

Cite this record

CBID:70689 http://www.chembase.cn/molecule-70689.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-6-methylpyrazin-2-amine
IUPAC Traditional name
5-bromo-6-methylpyrazin-2-amine
Synonyms
2-Amino-5-bromo-6-methylpyrazine
CAS Number
74290-69-0
MDL Number
MFCD08705763
PubChem SID
162036402
PubChem CID
21785149

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.4088802  LogD (pH = 7.4) 0.40907487 
Log P 0.40907735  Molar Refractivity 39.8146 cm3
Polarizability 14.460225 Å3 Polar Surface Area 51.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
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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