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60186-89-2 molecular structure
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4-bromo-2,6-dimethoxypyrimidine

ChemBase ID: 796462
Molecular Formular: C6H7BrN2O2
Molecular Mass: 219.03598
Monoisotopic Mass: 217.96908947
SMILES and InChIs

SMILES:
c1c(nc(nc1OC)OC)Br
Canonical SMILES:
COc1cc(Br)nc(n1)OC
InChI:
InChI=1S/C6H7BrN2O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3
InChIKey:
BFHOSMVQVHFCSK-UHFFFAOYSA-N

Cite this record

CBID:796462 http://www.chembase.cn/molecule-796462.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-2,6-dimethoxypyrimidine
IUPAC Traditional name
4-bromo-2,6-dimethoxypyrimidine
Synonyms
4-BroMo-2,6-diMethoxypyriMidine
CAS Number
60186-89-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O2923 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O2923 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9819106  LogD (pH = 7.4) 1.9819111 
Log P 1.9819111  Molar Refractivity 44.3732 cm3
Polarizability 16.695694 Å3 Polar Surface Area 44.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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