Ethyl 2-(dimethylamino)pyrimidine-5-carboxylate
TL;DR: Ethyl 2-(dimethylamino)pyrimidine-5-carboxylate (CAS 64891-99-2) is a chemical compound with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(dimethylamino)pyrimidine-5-carboxylate
Also Known As: ethyl 2-(dimethylamino)pyrimidine-5-carboxylate, NCIOpen2_000788, 2-(dimethylamino)ethyl pyrimidine-5-carboxylate, 5-Pyrimidinecarboxylicacid, 2-(dimethylamino)-, ethyl ester, ethyl 2-dimethylaminopyrimidine-5-carboxylate
| Molecular Formula | C9H13N3O2 |
|---|---|
| Molecular Weight | 195.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.10077 |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 64891-99-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1)N(C)C |
| InChIKey | LASQIQPHXMMNLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(dimethylamino)pyrimidine-5-carboxylate (CAS 64891-99-2), with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol. IUPAC: ethyl 2-(dimethylamino)pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 2-(dimethylamino)pyrimidine-5-carboxylate
Property Insights of Ethyl 2-(dimethylamino)pyrimidine-5-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(dimethylamino)pyrimidine-5-carboxylate. With a topological polar surface area (TPSA) of 55.3 Ų, Ethyl 2-(dimethylamino)pyrimidine-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(dimethylamino)pyrimidine-5-carboxylate has 0 hydrogen bond donor(s) and 5 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-(dimethylamino)pyrimidine-5-carboxylate?
The CAS number of Ethyl 2-(dimethylamino)pyrimidine-5-carboxylate is 64891-99-2.
What is the molecular formula of Ethyl 2-(dimethylamino)pyrimidine-5-carboxylate?
The molecular formula of Ethyl 2-(dimethylamino)pyrimidine-5-carboxylate is C9H13N3O2.
What is the molecular weight of Ethyl 2-(dimethylamino)pyrimidine-5-carboxylate?
The molecular weight of Ethyl 2-(dimethylamino)pyrimidine-5-carboxylate is 195.10 g/mol.
Where can I buy Ethyl 2-(dimethylamino)pyrimidine-5-carboxylate?
You can request a quote for Ethyl 2-(dimethylamino)pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(dimethylamino)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(dimethylamino)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.