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58366-64-6 molecular structure
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6-amino-5-methyl-1,2-dihydropyrimidin-2-one hydrochloride

ChemBase ID: 173497
Molecular Formular: C5H8ClN3O
Molecular Mass: 161.58952
Monoisotopic Mass: 161.03558957
SMILES and InChIs

SMILES:
n1c(=O)[nH]c(c(c1)C)N.Cl
Canonical SMILES:
Cc1cnc(=O)[nH]c1N.Cl
InChI:
InChI=1S/C5H7N3O.ClH/c1-3-2-7-5(9)8-4(3)6;/h2H,1H3,(H3,6,7,8,9);1H
InChIKey:
ANWMULVRPAUPJT-UHFFFAOYSA-N

Cite this record

CBID:173497 http://www.chembase.cn/molecule-173497.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-amino-5-methyl-1,2-dihydropyrimidin-2-one hydrochloride
IUPAC Traditional name
5-methylcytosine hydrochloride
Synonyms
4-Amino-2-hydroxy-5-methylpyrimidine hydrochloride
5-Methylcytosine hydrochloride
4-Amino-2-hydroxy-5-methyl-pyrimidine Hydrochloride
4-Amino-5-methyl-2(1H)-pyrimidinone MonoHydrochloride
5-Methyl Cytosine Hydrochloride
CAS Number
58366-64-6
EC Number
261-223-9
MDL Number
MFCD00035313
PubChem SID
164229407
PubChem CID
94029

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 94029 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.078233  H Acceptors
H Donor LogD (pH = 5.5) -0.75206685 
LogD (pH = 7.4) -0.75286156  Log P -0.7520553 
Molar Refractivity 42.3719 cm3 Polarizability 12.08672 Å3
Polar Surface Area 67.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
>300°C (dec.) expand Show data source
298°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
This compound looses chloride readily. Keep container tightl expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M294700 external link
A derivative of Dibarbituric acid.

REFERENCES

REFERENCES

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  • • Hitchings, G.H., et al.: J. Biol. Chem., 177, 357 (1949)
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PATENTS

PATENTS

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INTERNET

INTERNET

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