2-(4-Methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile
TL;DR: 2-(4-Methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile (CAS 444792-98-7) is a chemical compound with molecular formula C14H13N3OS and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: 2-(4-methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile, 2-(4-methoxyphenyl)-4-methyl-6-(methylthio)pyrimidine-5-carbonitrile, 2-(4-methoxyphenyl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonitrile
| Molecular Formula | C14H13N3OS |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 3.0542 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.07794 |
| Heavy Atoms | 19 |
| Complexity | 632.3747 |
Chemical Identifiers
| CAS Number | 444792-98-7 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)C2=CC=C(C=C2)OC)SC)C#N |
Product Overview
2-(4-Methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile (CAS 444792-98-7), with molecular formula C14H13N3OS and molecular weight 271.08 g/mol. IUPAC: 2-(4-methoxyphenyl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of 2-(4-Methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile
Property Insights of 2-(4-Methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile
The XLogP value of 3.0542 indicates that 2-(4-Methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.8 Ų, 2-(4-Methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile has 0 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 2-(4-Methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile?
The CAS number of 2-(4-Methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile is 444792-98-7.
What is the molecular formula of 2-(4-Methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile?
The molecular formula of 2-(4-Methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile is C14H13N3OS.
What is the molecular weight of 2-(4-Methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile?
The molecular weight of 2-(4-Methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile is 271.08 g/mol.
Where can I buy 2-(4-Methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile?
You can request a quote for 2-(4-Methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenyl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.