Chemical Entities of Biological Interest Ontology

Last uploaded: January 1, 2025
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Id http://purl.obolibrary.org/obo/CHEBI_68606
http://purl.obolibrary.org/obo/CHEBI_68606
Preferred Name

rilpivirine
Definitions
An aminopyrimidine that is pyrimidine-2,4-diamine in which the amino groups at positions 2 and 4 are substituted by 4-cyanophenyl and 4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl groups respectively. Used for treatment of HIV.
Synonyms
4-{[4-({4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
rilpivirine
TMC 278
TMC278
4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
Type http://www.w3.org/2002/07/owl#Class

All Properties

definition

An aminopyrimidine that is pyrimidine-2,4-diamine in which the amino groups at positions 2 and 4 are substituted by 4-cyanophenyl and 4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl groups respectively. Used for treatment of HIV.
label
rilpivirine
prefLabel
rilpivirine
database_cross_reference
KEGG:D09720
Wikipedia:Rilpivirine
PMID:22878339
PMID:15771441
HMDB:HMDB0061725
DrugBank:DB08864
CAS:500287-72-9
PMID:20438081
PMID:22293086
PMID:21997204
Patent:WO2006035068
PMID:22567823
PMID:22067667
PMID:25017682
PMID:22406117
Reaxys:9952270
PMID:22570576
PMID:22555080
PMID:19678794
PMID:20160045
PMID:21902621
PMID:22842995
Patent:WO2006035067
PMID:22024527
PMID:21763920
PMID:22664973
PMID:19048650
PMID:15771449
PMID:21763935
PMID:22343174
PMID:22955279
PMID:22921088
PMID:21860365
PMID:21308448
PDBeChem:T27
PMID:22430974
Patent:WO2007082922
PMID:22356290
PMID:19548857
PMID:22519768
Patent:WO2007113254
Patent:WO2009007441
PMID:19328850
Patent:WO2006035069
Patent:WO2004069812
PMID:22504027
Patent:US2008280849
PMID:22257626
PMID:22729755
PMID:22951490
Patent:WO2004016581
PMID:21373646
PMID:19249947
PMID:22096405
PMID:22209291
PMID:21763936
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notation
CHEBI:68606
in_subset
inchi
InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+
has_related_synonym
4-{[4-({4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
rilpivirine
TMC 278
TMC278
id
CHEBI:68606
charge
0
has_obo_namespace
chebi_ontology
formula
C22H18N6
subClassOf
is conjugate base of
inchikey
YIBOMRUWOWDFLG-ONEGZZNKSA-N
mass
366.41850
monoisotopicmass
366.15929
type
smiles
Cc1cc(\C=C\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1
has role
has_exact_synonym
4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
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