4-Chloro-6-(1H-imidazol-1-yl)pyrimidine
TL;DR: 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine (CAS 114834-02-5) is a chemical compound with molecular formula C7H5ClN4 and molecular weight 180.02028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-6-imidazol-1-ylpyrimidine
Also Known As: 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine, 4-chloro-6-imidazol-1-yl-pyrimidine, 4-chloro-6-imidazol-1-ylpyrimidine, IRGANOX5057, 4-Chloro-6-(1-imidazolyl)pyrimidine
Technical Specifications
| Molecular Formula | C7H5ClN4 |
| Molecular Weight | 180.02028 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.02028 Da |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
| SMILES | C1=CN(C=N1)C2=CC(=NC=N2)Cl |
| InChIKey | BOBHIPMYQAROLL-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine
Property Insights of 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine. With a topological polar surface area (TPSA) of 43.6 Ų, 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine 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 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine?
The CAS number of 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine is 114834-02-5.
What is the molecular formula of 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine?
The molecular formula of 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine is C7H5ClN4.
What is the molecular weight of 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine?
The molecular weight of 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine is 180.02028 g/mol.
Where can I buy 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine?
You can request a quote for 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.