NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-butyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide
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IUPAC Traditional name
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N-butyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide
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Synonyms
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N-butyl-N-(4-fluorobenzyl)-2-(methylamino)pyrimidine-5-carboxamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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15.814746
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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2.6902726
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LogD (pH = 7.4)
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2.6903648
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Log P
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2.690366
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Molar Refractivity
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90.4365 cm3
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Polarizability
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32.828926 Å3
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Polar Surface Area
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58.12 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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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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Log P
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1.86
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LOG S
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-3.1
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Polar Surface Area
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58.12 Å2
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Rotatable Bonds
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7
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent