Preferred Name

rilpivirine

Synonyms

4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile

4-{[4-({4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile

rilpivirine

TMC 278

TMC278

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.

ID

http://purl.obolibrary.org/obo/CHEBI_68606

charge

0

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

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.

formula

C22H18N6

has role

http://purl.obolibrary.org/obo/CHEBI_53756

http://purl.obolibrary.org/obo/CHEBI_59897

has_exact_synonym

4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile

has_obo_namespace

chebi_ontology

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

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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+

inchikey

YIBOMRUWOWDFLG-ONEGZZNKSA-N

is conjugate base of

http://purl.obolibrary.org/obo/CHEBI_68605

label

rilpivirine

mass

366.41850

monoisotopicmass

366.15929

notation

CHEBI:68606

prefLabel

rilpivirine

smiles

Cc1cc(\C=C\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1

treeView

http://purl.obolibrary.org/obo/CHEBI_18379

http://purl.obolibrary.org/obo/CHEBI_38338

subClassOf

http://purl.obolibrary.org/obo/CHEBI_18379

http://purl.obolibrary.org/obo/CHEBI_38338

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_68606 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68606 FIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68606 COVID-19 SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68606 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68606 DRON SAME_URI
http://purl.bioontology.org/ontology/NDFRT/N0000182740 NDFRT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C76929 NCIT LOOM
http://purl.obolibrary.org/obo/dinto_DB08864 DINTO LOOM
http://purl.bioontology.org/ontology/NDDF/013795 NDDF LOOM
http://purl.bioontology.org/ontology/VANDF/4030730 VANDF LOOM
http://purl.obolibrary.org/obo/MESH_D000068696 BERO LOOM
http://purl.bioontology.org/ontology/ATC/J05AG05 ATC LOOM
http://www.drugbank.ca/drugs/DB08864 FTC LOOM
http://purl.bioontology.org/ontology/LNC/LP135443-2 LOINC LOOM
http://purl.obolibrary.org/obo/OMIT_0001313 OMIT LOOM
http://www.phoc.org.cn/pmo/class/PMO_00017196 PMAPP-PMO LOOM
http://purl.obolibrary.org/obo/NCIT_C76929 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_68606 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_68606 FIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_68606 COVID-19 LOOM
http://purl.obolibrary.org/obo/CHEBI_68606 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_68606 DRON LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/703123005 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/LNC/MTHU042155 LOINC LOOM
http://purl.bioontology.org/ontology/RXNORM/1102270 RXNORM LOOM
http://purl.jp/bio/4/id/201506009260392818 IOBC LOOM
http://stirdf.jst.go.jp/id/200907089553443947 IOBC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C497816 RH-MESH LOOM
http://purl.bioontology.org/ontology/MESH/D000068696 MESH LOOM
https://go.drugbank.com/drugs/DB08864 MDM LOOM