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71267-12-4 molecular structure
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trimethylpyrimidin-5-ol

ChemBase ID: 312398
Molecular Formular: C7H10N2O
Molecular Mass: 138.1671
Monoisotopic Mass: 138.07931295
SMILES and InChIs

SMILES:
n1c(c(c(nc1C)C)O)C
Canonical SMILES:
Cc1nc(C)c(c(n1)C)O
InChI:
InChI=1S/C7H10N2O/c1-4-7(10)5(2)9-6(3)8-4/h10H,1-3H3
InChIKey:
KCROIESOAJCDMA-UHFFFAOYSA-N

Cite this record

CBID:312398 http://www.chembase.cn/molecule-312398.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethylpyrimidin-5-ol
IUPAC Traditional name
trimethylpyrimidin-5-ol
Synonyms
2,4,6-trimethyl-5-pyrimidinol
CAS Number
71267-12-4
MDL Number
MFCD00466668

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 9070994 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) 0.6268028  LogD (pH = 7.4) 0.67481476 
Log P 0.6767279  Molar Refractivity 38.5106 cm3
Polarizability 14.448116 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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