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5151-34-8 molecular structure
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2,4-dimethoxy-5-methylpyrimidine

ChemBase ID: 135787
Molecular Formular: C7H10N2O2
Molecular Mass: 154.1665
Monoisotopic Mass: 154.07422757
SMILES and InChIs

SMILES:
Cc1cnc(nc1OC)OC
Canonical SMILES:
COc1ncc(c(n1)OC)C
InChI:
InChI=1S/C7H10N2O2/c1-5-4-8-7(11-3)9-6(5)10-2/h4H,1-3H3
InChIKey:
QOKFHFUSIPXAJO-UHFFFAOYSA-N

Cite this record

CBID:135787 http://www.chembase.cn/molecule-135787.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dimethoxy-5-methylpyrimidine
IUPAC Traditional name
2,4-dimethoxy-5-methylpyrimidine
Synonyms
2,4-Dimethoxy-5-methylpyrimidine
2,4-二甲氧基-5-甲基嘧啶
CAS Number
5151-34-8
MDL Number
MFCD03424272
PubChem SID
24882705
162230059
PubChem CID
579948

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 579948 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5208071  LogD (pH = 7.4) 1.5210547 
Log P 1.5210578  Molar Refractivity 40.9494 cm3
Polarizability 15.385997 Å3 Polar Surface Area 44.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
58-62 °C(lit.) expand Show data source
Storage Warning
Air Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-41-43 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H317-H318 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C7H10N2O2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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