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1215597-17-3 molecular structure
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2-amino-5-bromopyrimidin-4-ol hydrobromide

ChemBase ID: 67922
Molecular Formular: C4H5Br2N3O
Molecular Mass: 270.91
Monoisotopic Mass: 268.8799358
SMILES and InChIs

SMILES:
c1(nc(c(cn1)Br)O)N.Br
Canonical SMILES:
Nc1ncc(c(n1)O)Br.Br
InChI:
InChI=1S/C4H4BrN3O.BrH/c5-2-1-7-4(6)8-3(2)9;/h1H,(H3,6,7,8,9);1H
InChIKey:
FBEVHQMVCKKOOY-UHFFFAOYSA-N

Cite this record

CBID:67922 http://www.chembase.cn/molecule-67922.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-5-bromopyrimidin-4-ol hydrobromide
IUPAC Traditional name
2-amino-5-bromopyrimidin-4-ol hydrobromide
Synonyms
2-Amino-5-bromo-4-hydroxypyrimidine hydrobromide
2-Amino-5-bromopyrimidin-4-ol hydrobromide
CAS Number
1215597-17-3
MDL Number
MFCD12923111
PubChem SID
162033657
PubChem CID
52987636

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.965331  H Acceptors
H Donor LogD (pH = 5.5) 0.9591991 
LogD (pH = 7.4) 0.9591234  Log P 0.9592404 
Molar Refractivity 37.2859 cm3 Polarizability 13.43001 Å3
Polar Surface Area 72.03 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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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