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1215295-84-3 molecular structure
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4-ethyl-5-methylpyrimidin-2-ol

ChemBase ID: 308898
Molecular Formular: C7H10N2O
Molecular Mass: 138.1671
Monoisotopic Mass: 138.07931295
SMILES and InChIs

SMILES:
n1c(ncc(c1CC)C)O
Canonical SMILES:
CCc1nc(O)ncc1C
InChI:
InChI=1S/C7H10N2O/c1-3-6-5(2)4-8-7(10)9-6/h4H,3H2,1-2H3,(H,8,9,10)
InChIKey:
MFLKSHVKRZWJRO-UHFFFAOYSA-N

Cite this record

CBID:308898 http://www.chembase.cn/molecule-308898.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-ethyl-5-methylpyrimidin-2-ol
IUPAC Traditional name
4-ethyl-5-methylpyrimidin-2-ol
Synonyms
4-ethyl-5-methyl-2-pyrimidinol
CAS Number
1215295-84-3
MDL Number
MFCD18917004

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 1.7702829  LogD (pH = 7.4) 1.7702835 
Log P 1.7702836  Molar Refractivity 38.9088 cm3
Polarizability 14.5274725 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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