NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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ethyl 2-oxo-4-(trifluoromethyl)-1,2-dihydropyrimidine-5-carboxylate
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IUPAC Traditional name
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ethyl 2-oxo-4-(trifluoromethyl)-1H-pyrimidine-5-carboxylate
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Synonyms
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5-Ethoxycarbonyl-4-(trifluoromethyl)-pyrimidin-2-(1H)-one
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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7.0971904
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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1.0556828
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LogD (pH = 7.4)
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0.67652464
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Log P
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1.0652758
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Molar Refractivity
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46.1575 cm3
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Polarizability
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16.98938 Å3
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Polar Surface Area
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67.76 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent