![4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile structure](/static/products/3763/37636-71-8.webp)
4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile
TL;DR: 4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile (CAS 37636-71-8) is a chemical compound with molecular formula C19H16BrN5 and molecular weight 393.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(4-bromo-2,6-dimethylanilino)pyrimidin-2-yl]amino]benzonitrile
Also Known As: HIV-1 inhibitor-48, Hexaethyldisiloxane, Despropenenitrile Bromo Rilpivirine, 4-({4-[(4-bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile, 4-((4-((4-Bromo-2,6-dimethylphenyl)amino)pyrimidin-2-yl)amino)benzonitrile
| Molecular Formula | C19H16BrN5 |
|---|---|
| Molecular Weight | 393.06 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.0589 |
| Heavy Atoms | 25 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 37636-71-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)Br |
| InChIKey | MKODFMNTDYAPSG-UHFFFAOYSA-N |
Product Overview
4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile (CAS 37636-71-8), with molecular formula C19H16BrN5 and molecular weight 393.06 g/mol. IUPAC: 4-[[4-(4-bromo-2,6-dimethylanilino)pyrimidin-2-yl]amino]benzonitrile.
Chemical Property Profile of 4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile
Property Insights of 4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile
The XLogP value of 5.1 indicates that 4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile. Following Lipinski's Rule of Five, 4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile?
The CAS number of 4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile is 37636-71-8.
What is the molecular formula of 4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile?
The molecular formula of 4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile is C19H16BrN5.
What is the molecular weight of 4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile?
The molecular weight of 4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile is 393.06 g/mol.
Where can I buy 4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile?
You can request a quote for 4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.