![4-[(2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile structure](/static/products/6965/6965-39-5.webp)
4-[(2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile
TL;DR: 4-[(2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile (CAS 6965-39-5) is a chemical compound with molecular formula C12H10BrN5 and molecular weight 303.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile
Also Known As: 4-[ amino]benzonitrile, 4-[(2-amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile, 4-((2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino)benzonitrile, Benzonitrile,4-[(2-amino-5-bromo-6-methyl-4-pyrimidinyl)amino]-, 4-[(2-AMINO-5-BROMO-6-METHYL-PYRIMIDIN-4-YL)AMINO]BENZONITRILE
| Molecular Formula | C12H10BrN5 |
|---|---|
| Molecular Weight | 303.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.01196 |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 6965-39-5 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)N)NC2=CC=C(C=C2)C#N)Br |
| InChIKey | JBSQQFCPEQORMW-UHFFFAOYSA-N |
Product Overview
4-[(2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile (CAS 6965-39-5), with molecular formula C12H10BrN5 and molecular weight 303.01 g/mol. IUPAC: 4-[(2-amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile.
Chemical Property Profile of 4-[(2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile
Property Insights of 4-[(2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile. Following Lipinski's Rule of Five, 4-[(2-Amino-5-bromo-6-methylpyrimidin-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-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile?
The CAS number of 4-[(2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile is 6965-39-5.
What is the molecular formula of 4-[(2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile?
The molecular formula of 4-[(2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile is C12H10BrN5.
What is the molecular weight of 4-[(2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile?
The molecular weight of 4-[(2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile is 303.01 g/mol.
Where can I buy 4-[(2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile?
You can request a quote for 4-[(2-Amino-5-bromo-6-methylpyrimidin-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-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.