Products for Research Use Only
RegisterLogin

Etravirine-d6

CAT: 0024-sc-218448Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-218448Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
269055-15-4

Chemical Information

Etravirine

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.

CAS Number269055-15-4
PubChem CID193962
IUPAC Name4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
Molecular FormulaC20H15BrN6O
Molecular Weight435.3
XLogP4.5
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity609
SMILES
CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N
InChI
InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
InChIKey
PYGWGZALEOIKDF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Etravirine
CAS: 269055-15-4
CID: 193962
Formula: C20H15BrN6O
MW: 435.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.3
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass434.04907
Monoisotopic Mass434.04907
Topological Polar Surface Area121 Ų
Heavy Atom Count28
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-207674Etravirine
sc-218447Etravirine-13C3
sc-484611Monohydroxy etravirine
sc-2105126-Desamino 6-Chloro Etravirine
sc-4998806-Desamino 6-Chloro Etravirine-13C3
sc-2979671,7-Dimethylxanthine-d6 (dimethyl-d6)
sc-218468Fenirofibrate-d6
sc-489498Glutaronitrile-d6
sc-499922Descarbonsildenafil-d6
sc-220216ATetracycline-d6

Alternative Products

CatalogName
CS-T-95513Etravirine-d6
HY-90005-01Etravirine

Popular Products