Rilpivirine
4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile
Molecular Identity
Rilpivirine
4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile
PubChem CID: 6451164
Rilpivirine is 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. It has a role as a HIV-1 reverse transcriptase inhibitor and an EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor. It is a nitrile and an aminopyrimidine. It is a conjugate base of a rilpivirine(1+).
2D Structure
Properties
C22H18N6
Molecular Formula
366.40
Molecular Weight
g/mol
366.1593
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
97.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
607
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C=CC#NIsomeric SMILES
SMILES: CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)/C=C/C#NSynonyms(20)
Rilpivirine500287-72-9TMC278RilpivirinaR278474TMC-278TMC 278R 278474CHEBI:68606FI96A8X663R-2784744-{[4-({4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrileDTXSID10198189CABENUVA COMPONENT RILPIVIRINE4-[[4-[[4-[(1E)-2-Cyanoethenyl]-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]benzonitrile
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Rilpivirine
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