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41398-85-0 molecular structure
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5-methylpyrimidin-2-ol hydrochloride

ChemBase ID: 71648
Molecular Formular: C5H7ClN2O
Molecular Mass: 146.57488
Monoisotopic Mass: 146.02469053
SMILES and InChIs

SMILES:
c1c(cnc(n1)O)C.Cl
Canonical SMILES:
Cc1cnc(nc1)O.Cl
InChI:
InChI=1S/C5H6N2O.ClH/c1-4-2-6-5(8)7-3-4;/h2-3H,1H3,(H,6,7,8);1H
InChIKey:
IPYDCQOCPSBFRW-UHFFFAOYSA-N

Cite this record

CBID:71648 http://www.chembase.cn/molecule-71648.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methylpyrimidin-2-ol hydrochloride
IUPAC Traditional name
5-methylpyrimidin-2-ol hydrochloride
Synonyms
5-Methylpyrimidin-2-ol hydrochloride
CAS Number
41398-85-0
PubChem SID
162037114
PubChem CID
71299243

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 71299243 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.037768  H Acceptors
H Donor LogD (pH = 5.5) 0.93837744 
LogD (pH = 7.4) 0.93837744  Log P 0.93837756 
Molar Refractivity 29.6904 cm3 Polarizability 10.936889 Å3
Polar Surface Area 46.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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