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70345-38-9 molecular structure
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4,6-dimethylpyrimidin-5-ol

ChemBase ID: 294806
Molecular Formular: C6H8N2O
Molecular Mass: 124.14052
Monoisotopic Mass: 124.06366289
SMILES and InChIs

SMILES:
Cc1ncnc(C)c1O
Canonical SMILES:
Cc1ncnc(c1O)C
InChI:
InChI=1S/C6H8N2O/c1-4-6(9)5(2)8-3-7-4/h3,9H,1-2H3
InChIKey:
STTRDEPUOJMYIB-UHFFFAOYSA-N

Cite this record

CBID:294806 http://www.chembase.cn/molecule-294806.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dimethylpyrimidin-5-ol
IUPAC Traditional name
4,6-dimethylpyrimidin-5-ol
Synonyms
4,6-Dimethylpyrimidin-5-ol
CAS Number
70345-38-9
MDL Number
MFCDN/AN/A466666
PubChem SID
180680337
PubChem CID
12469590

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD107368 Please log in.
Data Source Data ID
PubChem 12469590 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.359092  H Acceptors
H Donor LogD (pH = 5.5) 0.0016638302 
LogD (pH = 7.4) 0.0041461387  Log P 0.0089104725 
Molar Refractivity 33.8862 cm3 Polarizability 12.688543 Å3
Polar Surface Area 46.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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