1-Ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile
TL;DR: 1-Ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile (CAS 166754-97-8) is a chemical compound with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 5-cyano-3,6-dimethyl-1-ethylpyrimidine-2,4-dione, 1-ethyl-3,6-dimethyl-2,4-dioxo-pyrimidine-5-carbonitrile, 1-Ethyl-2,4-dioxo-3,6-dimethyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 1-ethyl-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
| Molecular Formula | C9H11N3O2 |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | -0.253 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.08513 |
| Heavy Atoms | 14 |
| Complexity | 516.57446 |
Chemical Identifiers
| CAS Number | 166754-97-8 |
|---|---|
| SMILES | CCN1C(=C(C(=O)N(C1=O)C)C#N)C |
Product Overview
1-Ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile (CAS 166754-97-8), with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol. IUPAC: 1-ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 1-Ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile
Property Insights of 1-Ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile
The XLogP value of -0.253 indicates that 1-Ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 1-Ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile 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 1-Ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile?
The CAS number of 1-Ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile is 166754-97-8.
What is the molecular formula of 1-Ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile?
The molecular formula of 1-Ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile is C9H11N3O2.
What is the molecular weight of 1-Ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile?
The molecular weight of 1-Ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile is 193.09 g/mol.
Where can I buy 1-Ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile?
You can request a quote for 1-Ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.