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1598-63-6 molecular structure
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5-fluoro-2-methylpyrimidine-4,6-diol

ChemBase ID: 54884
Molecular Formular: C5H5FN2O2
Molecular Mass: 144.1038032
Monoisotopic Mass: 144.03350563
SMILES and InChIs

SMILES:
c1(nc(c(c(n1)O)F)O)C
Canonical SMILES:
Cc1nc(O)c(c(n1)O)F
InChI:
InChI=1S/C5H5FN2O2/c1-2-7-4(9)3(6)5(10)8-2/h1H3,(H2,7,8,9,10)
InChIKey:
REAPDCOFEGTTLS-UHFFFAOYSA-N

Cite this record

CBID:54884 http://www.chembase.cn/molecule-54884.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoro-2-methylpyrimidine-4,6-diol
IUPAC Traditional name
5-fluoro-2-methylpyrimidine-4,6-diol
Synonyms
5-Fluoro-2-methylpyrimidine-4,6-diol
CAS Number
1598-63-6
MDL Number
MFCD11520459
PubChem SID
162059647
PubChem CID
233895

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
059836 external link Add to cart Please log in.
Data Source Data ID
PubChem 233895 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.747002  H Acceptors
H Donor LogD (pH = 5.5) 1.3955421 
LogD (pH = 7.4) 1.3955235  Log P 1.3955425 
Molar Refractivity 32.1519 cm3 Polarizability 11.444163 Å3
Polar Surface Area 66.24 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
>96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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