![4-[(2-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile structure](/static/products/911/91183-10-7.png)
4-[(2-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile
TL;DR: 4-[(2-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile (CAS 91183-10-7) is a chemical compound with molecular formula C11H8ClN5 and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-amino-6-chloropyrimidin-4-yl)amino]benzonitrile
Also Known As: 4-[(2-amino-6-chloropyrimidin-4-yl)amino]benzonitrile, (3-FLUORO-1,2-PHENYLENE)DIMETHANOL, 4-((2-Amino-6-chloropyrimidin-4-yl)amino)benzonitrile
| Molecular Formula | C11H8ClN5 |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.04683 |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 91183-10-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)NC2=CC(=NC(=N2)N)Cl |
| InChIKey | NMQBPKUHKFOZEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(2-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile (CAS 91183-10-7), with molecular formula C11H8ClN5 and molecular weight 245.05 g/mol. IUPAC: 4-[(2-amino-6-chloropyrimidin-4-yl)amino]benzonitrile.
Chemical Property Profile of 4-[(2-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile
Property Insights of 4-[(2-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile. Following Lipinski's Rule of Five, 4-[(2-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(2-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile?
The CAS number of 4-[(2-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile is 91183-10-7.
What is the molecular formula of 4-[(2-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile?
The molecular formula of 4-[(2-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile is C11H8ClN5.
What is the molecular weight of 4-[(2-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile?
The molecular weight of 4-[(2-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile is 245.05 g/mol.
Where can I buy 4-[(2-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile?
You can request a quote for 4-[(2-Amino-6-chloropyrimidin-4-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-[(2-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.