NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-bis(hydroxymethyl)benzonitrile
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IUPAC Traditional name
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4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-bis(hydroxymethyl)benzonitrile
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Synonyms
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4-[[6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-bis(hydroxymethyl)benzonitrile
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Dihydroxy Etravirine
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CAS 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
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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12.480397
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H Acceptors
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8
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H Donor
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4
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LogD (pH = 5.5)
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2.9577532
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LogD (pH = 7.4)
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2.9747443
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Log P
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2.974969
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Molar Refractivity
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115.4205 cm3
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Polarizability
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42.208572 Å3
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Polar Surface Area
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161.1 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent