2-Ethynyl-4-methoxypyrimidine
TL;DR: 2-Ethynyl-4-methoxypyrimidine (CAS 161489-04-9) is a chemical compound with molecular formula C7H6N2O and molecular weight 134.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethynyl-4-methoxypyrimidine
Also Known As: 2-ETHYNYL-4-METHOXYPYRIMIDINE, 2-ethynyl-4-methoxy-pyrimidine, Pyrimidine, 2-ethynyl-4-methoxy- (9CI), A1-18536, F2167-5054
| Molecular Formula | C7H6N2O |
|---|---|
| Molecular Weight | 134.05 g/mol |
| LogP | 0.4665 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 134.04802 |
| Heavy Atoms | 10 |
| Complexity | 264.55377 |
Chemical Identifiers
| CAS Number | 161489-04-9 |
|---|---|
| SMILES | COC1=NC(=NC=C1)C#C |
Product Overview
2-Ethynyl-4-methoxypyrimidine (CAS 161489-04-9), with molecular formula C7H6N2O and molecular weight 134.05 g/mol. IUPAC: 2-ethynyl-4-methoxypyrimidine.
Chemical Property Profile of 2-Ethynyl-4-methoxypyrimidine
Property Insights of 2-Ethynyl-4-methoxypyrimidine
The XLogP value of 0.4665 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethynyl-4-methoxypyrimidine. With a topological polar surface area (TPSA) of 35.01 Ų, 2-Ethynyl-4-methoxypyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethynyl-4-methoxypyrimidine 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
Frequently Asked Questions
What is the CAS number of 2-Ethynyl-4-methoxypyrimidine?
The CAS number of 2-Ethynyl-4-methoxypyrimidine is 161489-04-9.
What is the molecular formula of 2-Ethynyl-4-methoxypyrimidine?
The molecular formula of 2-Ethynyl-4-methoxypyrimidine is C7H6N2O.
What is the molecular weight of 2-Ethynyl-4-methoxypyrimidine?
The molecular weight of 2-Ethynyl-4-methoxypyrimidine is 134.05 g/mol.
Where can I buy 2-Ethynyl-4-methoxypyrimidine?
You can request a quote for 2-Ethynyl-4-methoxypyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethynyl-4-methoxypyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethynyl-4-methoxypyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.