![5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione structure](/static/products/162/162756-93-6.webp)
5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione
TL;DR: 5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione (CAS 162756-93-6) is a chemical compound with molecular formula C6H7N3O5 and molecular weight 201.03857 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl nitrate
Also Known As: 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl Nitrate, 5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione, 2-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethyl nitrate
Technical Specifications
| Molecular Formula | C6H7N3O5 |
| Molecular Weight | 201.03857 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.03857 Da |
| Heavy Atoms | 14 |
| Complexity | 305.0 |
| SMILES | C1=C(C(=O)NC(=O)N1)CCO[N+](=O)[O-] |
| InChIKey | YHIHXMFEAZVKEO-UHFFFAOYSA-N |
Chemical Property Profile of 5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione
Property Insights of 5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione
The XLogP value of -0.4 indicates that 5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione?
The CAS number of 5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione is 162756-93-6.
What is the molecular formula of 5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione is C6H7N3O5.
What is the molecular weight of 5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione is 201.03857 g/mol.
Where can I buy 5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione?
Yes, CoreyChem provides custom synthesis services for 5-[2-(Nitrooxy)ethyl]-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.