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15400-58-5 molecular structure
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methyl 2,4-dimethoxypyrimidine-5-carboxylate

ChemBase ID: 54967
Molecular Formular: C8H10N2O4
Molecular Mass: 198.176
Monoisotopic Mass: 198.06405681
SMILES and InChIs

SMILES:
c1(nc(c(cn1)C(=O)OC)OC)OC
Canonical SMILES:
COc1ncc(c(n1)OC)C(=O)OC
InChI:
InChI=1S/C8H10N2O4/c1-12-6-5(7(11)13-2)4-9-8(10-6)14-3/h4H,1-3H3
InChIKey:
HDQHTPWKNFCTDN-UHFFFAOYSA-N

Cite this record

CBID:54967 http://www.chembase.cn/molecule-54967.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2,4-dimethoxypyrimidine-5-carboxylate
IUPAC Traditional name
methyl 2,4-dimethoxypyrimidine-5-carboxylate
Synonyms
Methyl 2,4-dimethoxypyrimidine-5-carboxylate
2,4-Dimethoxy-5-(methoxycarbonyl)pyrimidine
CAS Number
15400-58-5
MDL Number
MFCD11617311
PubChem SID
162059730
PubChem CID
15050416

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0111067  LogD (pH = 7.4) 1.0111134 
Log P 1.0111134  Molar Refractivity 47.9335 cm3
Polarizability 18.150925 Å3 Polar Surface Area 70.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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