4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile
TL;DR: 4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile (CAS 135158-59-7) is a chemical compound with molecular formula C7H8N4S and molecular weight 180.04697 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: 4-amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile, 4-amino-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile, 4-amino-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile, 4-AMINO-5-CYANO-2-METHYL-6-(METHYLTHIO)PYRIMIDINE, 4-AMINO-5-CYANO-2-METHYL-6- PYRIMIDINE
Technical Specifications
| Molecular Formula | C7H8N4S |
| Molecular Weight | 180.04697 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.04697 Da |
| Heavy Atoms | 12 |
| Complexity | 199.0 |
| SMILES | CC1=NC(=C(C(=N1)SC)C#N)N |
| InChIKey | LPSJZNUNABMWIQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile
Property Insights of 4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-Amino-2-methyl-6-(methylsulfanyl)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
What is the CAS number of 4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile?
The CAS number of 4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile is 135158-59-7.
What is the molecular formula of 4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile?
The molecular formula of 4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile is C7H8N4S.
What is the molecular weight of 4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile?
The molecular weight of 4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile is 180.04697 g/mol.
Where can I buy 4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile?
You can request a quote for 4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.