5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)-
TL;DR: 5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)- (CAS 114460-95-6) is a chemical compound with molecular formula C7H8N4S2 and molecular weight 212.01904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
Also Known As: 5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)-, 2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile, 2-Amino-4,6-bis-methylsulfanyl-pyrimidine-5-carbonitrile, 1-but-3-en-1-ynyl-1-prop-2-ynoxycyclohexane, 2-Amino-4,6-bis(methylthio)pyrimidine-5-carbonitrile
Technical Specifications
| Molecular Formula | C7H8N4S2 |
| Molecular Weight | 212.01904 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.01904 Da |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
| SMILES | CSC1=C(C(=NC(=N1)N)SC)C#N |
| InChIKey | UBGQMNREFNCBCW-UHFFFAOYSA-N |
Chemical Property Profile of 5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)-
Property Insights of 5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)-. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)-. Following Lipinski's Rule of Five, 5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)- 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
What is the CAS number of 5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)-?
The CAS number of 5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)- is 114460-95-6.
What is the molecular formula of 5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)-?
The molecular formula of 5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)- is C7H8N4S2.
What is the molecular weight of 5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)-?
The molecular weight of 5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)- is 212.01904 g/mol.
Where can I buy 5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)-?
You can request a quote for 5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)-?
Yes, CoreyChem provides custom synthesis services for 5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.