4-Amino-2-(4-methylphenyl)-6-(methylthio)pyrimidine-5-carbonitrile
TL;DR: 4-Amino-2-(4-methylphenyl)-6-(methylthio)pyrimidine-5-carbonitrile (CAS 287922-40-1) is a chemical compound with molecular formula C13H12N4S and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-(4-methylphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: 4-amino-2-(4-methylphenyl)-6-(methylthio)pyrimidine-5-carbonitrile, 4-amino-2-(4-methylphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile, 4-Amino-6-(methylthio)-2-(p-tolyl)pyrimidine-5-carbonitrile, N-CBZ-9-AZABICYCLO[3.3.1]NONAN-3-ONE, 4-amino-2-(4-methylphenyl)-6-methylthiopyrimidine-5-carbonitrile
| Molecular Formula | C13H12N4S |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.6278 |
| Topological Polar Surface Area | 75.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.07828 |
| Heavy Atoms | 18 |
| Complexity | 614.1238 |
Chemical Identifiers
| CAS Number | 287922-40-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=C(C(=N2)SC)C#N)N |
Product Overview
4-Amino-2-(4-methylphenyl)-6-(methylthio)pyrimidine-5-carbonitrile (CAS 287922-40-1), with molecular formula C13H12N4S and molecular weight 256.08 g/mol. IUPAC: 4-amino-2-(4-methylphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Amino-2-(4-methylphenyl)-6-(methylthio)pyrimidine-5-carbonitrile
Property Insights of 4-Amino-2-(4-methylphenyl)-6-(methylthio)pyrimidine-5-carbonitrile
The XLogP value of 2.6278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-(4-methylphenyl)-6-(methylthio)pyrimidine-5-carbonitrile. The TPSA of 75.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-(4-methylphenyl)-6-(methylthio)pyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-Amino-2-(4-methylphenyl)-6-(methylthio)pyrimidine-5-carbonitrile has 1 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-Amino-2-(4-methylphenyl)-6-(methylthio)pyrimidine-5-carbonitrile?
The CAS number of 4-Amino-2-(4-methylphenyl)-6-(methylthio)pyrimidine-5-carbonitrile is 287922-40-1.
What is the molecular formula of 4-Amino-2-(4-methylphenyl)-6-(methylthio)pyrimidine-5-carbonitrile?
The molecular formula of 4-Amino-2-(4-methylphenyl)-6-(methylthio)pyrimidine-5-carbonitrile is C13H12N4S.
What is the molecular weight of 4-Amino-2-(4-methylphenyl)-6-(methylthio)pyrimidine-5-carbonitrile?
The molecular weight of 4-Amino-2-(4-methylphenyl)-6-(methylthio)pyrimidine-5-carbonitrile is 256.08 g/mol.
Where can I buy 4-Amino-2-(4-methylphenyl)-6-(methylthio)pyrimidine-5-carbonitrile?
You can request a quote for 4-Amino-2-(4-methylphenyl)-6-(methylthio)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 4-Amino-2-(4-methylphenyl)-6-(methylthio)pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-(4-methylphenyl)-6-(methylthio)pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.