500287-72-9
Product Name:
4-[[4-[[4-[(E)-2-cyanoethenyl]-2,6-dimethyl-phenyl]amino]pyrimidin-2-yl]amino]benzonitrile
Formula:
C22H18N6
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Slightly yellow crystalline powder |
|---|---|
| Melting Point | 241-243°C |
| Solubility | <0.1mg/ml |
| LogP | 4.86 |
| pH | Once reconstituted with supplied diluent, pH range of 4.5 to 6.0 |
| Dissociation Constants | 5.6 |
| Other Experimental Properties | Hygroscopic and light sensitive |
COMPUTED DESCRIPTORS
| Molecular Weight | 366.4 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 366.15929460 g/mol |
| Monoisotopic Mass | 366.15929460 g/mol |
| Topological Polar Surface Area | 97.4 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 607 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
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+).