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Rilpivirine Impurity 9

CAT: 1299-RM-R092209-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R092209-01Size:10 mg
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CAS Number
500288-66-4
Synonyms
(E) -3- (4- ((2- ((4-cyanophenyl) amino) pyrimidin-4-yl) amino) -3,5-dimethylphenyl) acrylamide
Molecular Formula
C22H20N6O
Molecular Weight
384.44
Target Alternative Name
Rilpivirine
Product Name Synonym
(E) -3- (4- ((2- ((4-cyanophenyl) amino) pyrimidin-4-yl) amino) -3,5-dimethylphenyl) acrylamide

Chemical Information

Rilpivirine amide 1 impurity
CAS Number500288-66-4
PubChem CID89449910
IUPAC Name(E)-3-[4-[[2-(4-cyanoanilino)pyrimidin-4-yl]amino]-3,5-dimethylphenyl]prop-2-enamide
Molecular FormulaC22H20N6O
Molecular Weight384.4
XLogP3.7
Topological Polar Surface Area117
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity608
SMILES
CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)/C=C/C(=O)N
InChI
InChI=1S/C22H20N6O/c1-14-11-17(5-8-19(24)29)12-15(2)21(14)27-20-9-10-25-22(28-20)26-18-6-3-16(13-23)4-7-18/h3-12H,1-2H3,(H2,24,29)(H2,25,26,27,28)/b8-5+
InChIKey
LEOGADCYBSSOOZ-VMPITWQZSA-N
Chemical Structure
2D Structure
2D structure of Rilpivirine amide 1 impurity
CAS: 500288-66-4
CID: 89449910
Formula: C22H20N6O
MW: 384.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.4
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass384.16985928
Monoisotopic Mass384.16985928
Topological Polar Surface Area117 Ų
Heavy Atom Count29
Formal Charge0
Complexity608
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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AR-R10959-01Rilpivirine Desmethyl Impurity
AR-R01604-01Rilpivirine Keto Impurity
AR-R10962-01Rilpivirine Impurity 6
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