5-Ethynylpyrimidine
TL;DR: 5-Ethynylpyrimidine (CAS 153286-94-3) is a chemical compound with molecular formula C6H4N2 and molecular weight 104.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethynylpyrimidine
Also Known As: 5-ethynylpyrimidine, 5-Ethynyl-pyrimidine, Pyrimidine, 5-ethynyl-, 5-ETYNYL-PYRIMIDINE, Pyrimidine, 5-ethynyl- (9CI)
| Molecular Formula | C6H4N2 |
|---|---|
| Molecular Weight | 104.04 g/mol |
| LogP | 0.4579 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.037445 |
| Heavy Atoms | 8 |
| Complexity | 197.51855 |
Chemical Identifiers
| CAS Number | 153286-94-3 |
|---|---|
| SMILES | C#CC1=CN=CN=C1 |
Product Overview
5-Ethynylpyrimidine (CAS 153286-94-3), with molecular formula C6H4N2 and molecular weight 104.04 g/mol. IUPAC: 5-ethynylpyrimidine.
Chemical Property Profile of 5-Ethynylpyrimidine
Property Insights of 5-Ethynylpyrimidine
The XLogP value of 0.4579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethynylpyrimidine. With a topological polar surface area (TPSA) of 25.78 Ų, 5-Ethynylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethynylpyrimidine has 0 hydrogen bond donor(s) and 2 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 5-Ethynylpyrimidine?
The CAS number of 5-Ethynylpyrimidine is 153286-94-3.
What is the molecular formula of 5-Ethynylpyrimidine?
The molecular formula of 5-Ethynylpyrimidine is C6H4N2.
What is the molecular weight of 5-Ethynylpyrimidine?
The molecular weight of 5-Ethynylpyrimidine is 104.04 g/mol.
Where can I buy 5-Ethynylpyrimidine?
You can request a quote for 5-Ethynylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethynylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethynylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.