Ethyl 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-5-pyrimidinecarboxylate
TL;DR: Ethyl 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-5-pyrimidinecarboxylate (CAS 17994-56-8) is a chemical compound with molecular formula C9H14N2O3 and molecular weight 198.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv2_000763, TimTec1_004084, ethyl 4,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, BAS 03049696, 4,6-Dimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
| Molecular Formula | C9H14N2O3 |
|---|---|
| Molecular Weight | 198.10 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.10045 |
| Heavy Atoms | 14 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 17994-56-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C)C |
| InChIKey | JFHAMNVZHGKQDQ-UHFFFAOYSA-N |
Product Overview
Ethyl 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-5-pyrimidinecarboxylate (CAS 17994-56-8), with molecular formula C9H14N2O3 and molecular weight 198.10 g/mol. IUPAC: ethyl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-5-pyrimidinecarboxylate
Property Insights of Ethyl 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-5-pyrimidinecarboxylate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-5-pyrimidinecarboxylate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-5-pyrimidinecarboxylate has 2 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 Ethyl 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-5-pyrimidinecarboxylate?
The CAS number of Ethyl 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-5-pyrimidinecarboxylate is 17994-56-8.
What is the molecular formula of Ethyl 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-5-pyrimidinecarboxylate is C9H14N2O3.
What is the molecular weight of Ethyl 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-5-pyrimidinecarboxylate is 198.10 g/mol.
Where can I buy Ethyl 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.