API reference
Etravirine
- CAS number
- 269055-15-4
- Molecular formula
- C20H15BrN6O
- Molecular weight
- 435.3 g/mol

About this molecule
Etravirine is an aminopyrimidine that consists of 2,6-diaminopyrimidine bearing a bromo substituent at position 5, a 4-cyano-2,6-dimethylphenoxy substituent at position 4 and having a 4-cyanophenyl substituent attached to the 2-amino group. NNRTI of HIV-1, binds directly to RT and blocks RNA-dependent and DNA-dependent DNA polymerase activities. It has a role as an antiviral agent and a HIV-1 reverse transcriptase inhibitor. It is an aromatic ether, an organobromine compound, an aminopyrimidine and a dinitrile.
Source: ChEBI, via PubChem.
Identifiers
- IUPAC name
- 4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
- InChIKey
- PYGWGZALEOIKDF-UHFFFAOYSA-N
- SMILES
- CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N
- Other CAS numbers recorded
- 1142096-06-7 · 394729-17-0
- PubChem CID
- 193962
Also known as
Etravirine · Intelence · TMC-125 · TMC125 · TMC 125 · Etravirina · TMC125 cpd · etravirinum
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