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914348-07-5 molecular structure
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2-cyclopropyl-4-(dimethoxymethyl)pyrimidine

ChemBase ID: 270827
Molecular Formular: C10H14N2O2
Molecular Mass: 194.23036
Monoisotopic Mass: 194.1055277
SMILES and InChIs

SMILES:
n1c(C2CC2)nccc1C(OC)OC
Canonical SMILES:
COC(c1ccnc(n1)C1CC1)OC
InChI:
InChI=1S/C10H14N2O2/c1-13-10(14-2)8-5-6-11-9(12-8)7-3-4-7/h5-7,10H,3-4H2,1-2H3
InChIKey:
BAXOPTJKEYXLCH-UHFFFAOYSA-N

Cite this record

CBID:270827 http://www.chembase.cn/molecule-270827.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-cyclopropyl-4-(dimethoxymethyl)pyrimidine
IUPAC Traditional name
2-cyclopropyl-4-(dimethoxymethyl)pyrimidine
Synonyms
2-cyclopropyl-4-(dimethoxymethyl)pyrimidine
2-Cyclopropyl-4-dimethoxymethylpyrimidine
2-环丙基-4-二甲氧基甲基嘧啶
CAS Number
914348-07-5
MDL Number
MFCD05662687
PubChem SID
164326737
PubChem CID
17750124

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17750124 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.508089  LogD (pH = 7.4) 1.5081569 
Log P 1.5081578  Molar Refractivity 51.7404 cm3
Polarizability 20.176596 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)
Hydrophobicity(logP)
0.254 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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