![4-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile structure](/static/products/6623/6623-82-1.webp)
4-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile
TL;DR: 4-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile (CAS 6623-82-1) is a chemical compound with molecular formula C13H12N4OS and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-methoxy-2-methylsulfanylpyrimidin-4-yl)amino]benzonitrile
Also Known As: NCIOpen2_002058, Benzonitrile,4-[[5-methoxy-2-(methylthio)-4-pyrimidinyl]amino]-, 4-[(5-methoxy-2-methylsulfanylpyrimidin-4-yl)amino]benzonitrile, 4-{[5-methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile
| Molecular Formula | C13H12N4OS |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.07318 |
| Heavy Atoms | 19 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 6623-82-1 |
|---|---|
| SMILES | COC1=CN=C(N=C1NC2=CC=C(C=C2)C#N)SC |
| InChIKey | RDNUOHJSPWSVTL-UHFFFAOYSA-N |
Product Overview
4-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile (CAS 6623-82-1), with molecular formula C13H12N4OS and molecular weight 272.07 g/mol. IUPAC: 4-[(5-methoxy-2-methylsulfanylpyrimidin-4-yl)amino]benzonitrile.
Chemical Property Profile of 4-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile
Property Insights of 4-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile. Following Lipinski's Rule of Five, 4-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile has 1 hydrogen bond donor(s) and 6 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-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile?
The CAS number of 4-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile is 6623-82-1.
What is the molecular formula of 4-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile?
The molecular formula of 4-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile is C13H12N4OS.
What is the molecular weight of 4-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile?
The molecular weight of 4-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile is 272.07 g/mol.
Where can I buy 4-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile?
You can request a quote for 4-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-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-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{[5-Methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.