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34939-17-8 molecular structure
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4,5-dimethylpyrimidin-2-ol

ChemBase ID: 309199
Molecular Formular: C6H8N2O
Molecular Mass: 124.14052
Monoisotopic Mass: 124.06366289
SMILES and InChIs

SMILES:
n1c(ncc(c1C)C)O
Canonical SMILES:
Oc1ncc(c(n1)C)C
InChI:
InChI=1S/C6H8N2O/c1-4-3-7-6(9)8-5(4)2/h3H,1-2H3,(H,7,8,9)
InChIKey:
YIJYGMPPWWXWLA-UHFFFAOYSA-N

Cite this record

CBID:309199 http://www.chembase.cn/molecule-309199.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,5-dimethylpyrimidin-2-ol
IUPAC Traditional name
4,5-dimethylpyrimidin-2-ol
Synonyms
4,5-dimethyl-2-pyrimidinol
CAS Number
34939-17-8
MDL Number
MFCD11846242

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4038318 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0697469  LogD (pH = 7.4) 1.0697477 
Log P 1.0697477  Molar Refractivity 34.2819 cm3
Polarizability 12.69346 Å3 Polar Surface Area 46.01 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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