(2E)-3-[4-[[2-[(4-Cyanophenyl)amino]-4-pyrimidinyl]amino]-3,5-dimethylphenyl]-2-propenamide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H20N6O
Molecular Weight	384.4338
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of (2E)-3-[4-[[2-[(4-Cyanophenyl)amino]-4-pyrimidinyl]amino]-3,5-dimethylphenyl]-2-propenamide

Structure Search

SMILES

CC1=CC(\C=C\C(N)=O)=CC(C)=C1NC2=CC=NC(NC3=CC=C(C=C3)C#N)=N2

InChI

InChIKey=LEOGADCYBSSOOZ-VMPITWQZSA-N

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+

HIDE SMILES / InChI

Molecular Formula	C22H20N6O
Molecular Weight	384.4338
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:04:35 GMT 2025` Edited by `admin` on `Wed Apr 02 21:04:35 GMT 2025`
Record UNII	N69UK5FQF5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Rilpivirine amide 1 impurity

Preferred Name

English

(2E)-3-[4-[[2-[(4-Cyanophenyl)amino]-4-pyrimidinyl]amino]-3,5-dimethylphenyl]-2-propenamide

Systematic Name

English

2-Propenamide, 3-[4-[[2-[(4-cyanophenyl)amino]-4-pyrimidinyl]amino]-3,5-dimethylphenyl]-, (2E)-

Systematic Name

English

Rilpivirine Amide

Common Name

English

3-[4-[[2-[(4-Cyanophenyl)amino]-4-pyrimidinyl]amino]-3,5-dimethylphenyl]-2-propenamide

Systematic Name

English

Code System Code Type Description

FDA UNII

N69UK5FQF5

Created by admin on Wed Apr 02 21:04:35 GMT 2025 , Edited by admin on Wed Apr 02 21:04:35 GMT 2025

PRIMARY

CAS

500288-66-4

Created by admin on Wed Apr 02 21:04:35 GMT 2025 , Edited by admin on Wed Apr 02 21:04:35 GMT 2025

PRIMARY

PUBCHEM

89449910

Created by admin on Wed Apr 02 21:04:35 GMT 2025 , Edited by admin on Wed Apr 02 21:04:35 GMT 2025

PRIMARY

CAS

661489-27-6

Created by admin on Wed Apr 02 21:04:35 GMT 2025 , Edited by admin on Wed Apr 02 21:04:35 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY