Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate
TL;DR: Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate (CAS 185444-95-5) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate
Also Known As: CDD 0097, prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate, Prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate, 2-Propyn-1-yl 1,4,5,6-tetrahydro-5-pyrimidinecarboxylate, 1,4,5,6-Tetrahydro-5-pyrimidinecarboxylic acid 2-propynyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.07423 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.07423 Da |
| Heavy Atoms | 12 |
| Complexity | 239.0 |
| SMILES | C#CCOC(=O)C1CNC=NC1 |
| InChIKey | KEBHGVXTLDRPHQ-UHFFFAOYSA-N |
Product Description
Applications: Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate (CAS 185444-95-5) has the molecular formula C8H10N2O2 and a molecular weight of 166.07 g/mol. Synonyms include CDD 0097 and CDD-0097.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate
Property Insights of Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate
The XLogP value of -0.8 indicates that Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.7 Ų, Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate?
The CAS number of Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate is 185444-95-5.
What is the molecular formula of Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate?
The molecular formula of Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate is C8H10N2O2.
What is the molecular weight of Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate?
The molecular weight of Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate is 166.07423 g/mol.
What are the applications of Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate?
Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from...
Where can I buy Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate?
You can request a quote for Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for Prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.