![4-[(2-Amino-6-methylpyrimidin-4-yl)amino]benzonitrile structure](/static/products/6965/6965-38-4.webp)
4-[(2-Amino-6-methylpyrimidin-4-yl)amino]benzonitrile
TL;DR: 4-[(2-Amino-6-methylpyrimidin-4-yl)amino]benzonitrile (CAS 6965-38-4) is a chemical compound with molecular formula C12H11N5 and molecular weight 225.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-amino-6-methylpyrimidin-4-yl)amino]benzonitrile
Also Known As: 4-[(2-amino-6-methylpyrimidin-4-yl)amino]benzonitrile, 4-((2-Amino-6-methylpyrimidin-4-yl)amino)benzonitrile, 4-(2-amino-6-methyl-pyrimidin-4-ylamino)-benzonitrile, Benzonitrile,4-[(2-amino-6-methyl-4-pyrimidinyl)amino]-, 4-[(2-AMINO-6-METHYL-PYRIMIDIN-4-YL)AMINO]BENZONITRILE
| Molecular Formula | C12H11N5 |
|---|---|
| Molecular Weight | 225.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.10144 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 6965-38-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N)NC2=CC=C(C=C2)C#N |
| InChIKey | LDKAFKDCQRUJLA-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-methylpyrimidin-4-yl)amino]benzonitrile (CAS 6965-38-4), with molecular formula C12H11N5 and molecular weight 225.10 g/mol. IUPAC: 4-[(2-amino-6-methylpyrimidin-4-yl)amino]benzonitrile.
Chemical Property Profile of 4-[(2-Amino-6-methylpyrimidin-4-yl)amino]benzonitrile
Property Insights of 4-[(2-Amino-6-methylpyrimidin-4-yl)amino]benzonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Amino-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-6-methylpyrimidin-4-yl)amino]benzonitrile. Following Lipinski's Rule of Five, 4-[(2-Amino-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-6-methylpyrimidin-4-yl)amino]benzonitrile?
The CAS number of 4-[(2-Amino-6-methylpyrimidin-4-yl)amino]benzonitrile is 6965-38-4.
What is the molecular formula of 4-[(2-Amino-6-methylpyrimidin-4-yl)amino]benzonitrile?
The molecular formula of 4-[(2-Amino-6-methylpyrimidin-4-yl)amino]benzonitrile is C12H11N5.
What is the molecular weight of 4-[(2-Amino-6-methylpyrimidin-4-yl)amino]benzonitrile?
The molecular weight of 4-[(2-Amino-6-methylpyrimidin-4-yl)amino]benzonitrile is 225.10 g/mol.
Where can I buy 4-[(2-Amino-6-methylpyrimidin-4-yl)amino]benzonitrile?
You can request a quote for 4-[(2-Amino-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-6-methylpyrimidin-4-yl)amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Amino-6-methylpyrimidin-4-yl)amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.