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67383-32-8 molecular structure
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ethyl 2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate

ChemBase ID: 286921
Molecular Formular: C8H10N2O3
Molecular Mass: 182.1766
Monoisotopic Mass: 182.06914219
SMILES and InChIs

SMILES:
C(OC(=O)c1cnc(C)[nH]c1=O)C
Canonical SMILES:
CCOC(=O)c1cnc([nH]c1=O)C
InChI:
InChI=1S/C8H10N2O3/c1-3-13-8(12)6-4-9-5(2)10-7(6)11/h4H,3H2,1-2H3,(H,9,10,11)
InChIKey:
KTZQDIINDVWLES-UHFFFAOYSA-N

Cite this record

CBID:286921 http://www.chembase.cn/molecule-286921.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate
IUPAC Traditional name
ethyl 2-methyl-4-oxo-3H-pyrimidine-5-carboxylate
Synonyms
Ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylate
CAS Number
67383-32-8
MDL Number
MFCD00223606
PubChem SID
180672452
PubChem CID
293750

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD10643 Please log in.
Data Source Data ID
PubChem 293750 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.267377  H Acceptors
H Donor LogD (pH = 5.5) -0.18580712 
LogD (pH = 7.4) -0.18585774  Log P -0.18580551 
Molar Refractivity 44.9417 cm3 Polarizability 17.282248 Å3
Polar Surface Area 67.76 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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