2-Cyanopyrimidine
TL;DR: 2-Cyanopyrimidine (CAS 104301-82-8) is a chemical compound with molecular formula C5H3N3 and molecular weight 105.0327 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyrimidine-2-carbonitrile
Also Known As: 2-Cyanopyrimidine, pyrimidine-2-carbonitrile, 2-Pyrimidinecarbonitrile, 2-cyano-pyrimidine, cyanopyrimidine
Technical Specifications
| Molecular Formula | C5H3N3 |
| Molecular Weight | 105.0327 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 105.0327 Da |
| Heavy Atoms | 8 |
| Complexity | 106.0 |
| SMILES | C1=CN=C(N=C1)C#N |
| InChIKey | IIHQNAXFIODVDU-UHFFFAOYSA-N |
Chemical Property Profile of 2-Cyanopyrimidine
Property Insights of 2-Cyanopyrimidine
The XLogP value of -0.3 indicates that 2-Cyanopyrimidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.6 Ų, 2-Cyanopyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyanopyrimidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Cyanopyrimidine?
The CAS number of 2-Cyanopyrimidine is 104301-82-8.
What is the molecular formula of 2-Cyanopyrimidine?
The molecular formula of 2-Cyanopyrimidine is C5H3N3.
What is the molecular weight of 2-Cyanopyrimidine?
The molecular weight of 2-Cyanopyrimidine is 105.0327 g/mol.
Where can I buy 2-Cyanopyrimidine?
You can request a quote for 2-Cyanopyrimidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Cyanopyrimidine?
Yes, CoreyChem provides custom synthesis services for 2-Cyanopyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.