Ethyl 2-methyl-5-pyrimidineacetate
TL;DR: Ethyl 2-methyl-5-pyrimidineacetate (CAS 2134-40-9) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-methylpyrimidin-5-yl)acetate
Also Known As: Ethyl 2-methyl-5-pyrimidineacetate, ethyl 2-(2-methylpyrimidin-5-yl)acetate, Ethyl (2-methyl-5-pyrimidinyl)acetate, 2-Methyl-5-ethoxycarbonylmethyl-pyrimidin, Ethyl (2-methyl-5-pyrimidinyl)acetate #
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 2134-40-9 |
|---|---|
| SMILES | CCOC(=O)CC1=CN=C(N=C1)C |
| InChIKey | ZBHFICQWNKECFM-UHFFFAOYSA-N |
Product Overview
Ethyl 2-methyl-5-pyrimidineacetate (CAS 2134-40-9), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: ethyl 2-(2-methylpyrimidin-5-yl)acetate.
Chemical Property Profile of Ethyl 2-methyl-5-pyrimidineacetate
Property Insights of Ethyl 2-methyl-5-pyrimidineacetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-5-pyrimidineacetate. With a topological polar surface area (TPSA) of 52.1 Ų, Ethyl 2-methyl-5-pyrimidineacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-5-pyrimidineacetate has 0 hydrogen bond donor(s) and 4 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 Ethyl 2-methyl-5-pyrimidineacetate?
The CAS number of Ethyl 2-methyl-5-pyrimidineacetate is 2134-40-9.
What is the molecular formula of Ethyl 2-methyl-5-pyrimidineacetate?
The molecular formula of Ethyl 2-methyl-5-pyrimidineacetate is C9H12N2O2.
What is the molecular weight of Ethyl 2-methyl-5-pyrimidineacetate?
The molecular weight of Ethyl 2-methyl-5-pyrimidineacetate is 180.09 g/mol.
Where can I buy Ethyl 2-methyl-5-pyrimidineacetate?
You can request a quote for Ethyl 2-methyl-5-pyrimidineacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-5-pyrimidineacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-5-pyrimidineacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.