1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 4160-75-2) is a chemical compound with molecular formula C7H8N2O3 and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: Allylbarbituric acid, 1-Allylbarbituric acid, n-allylbarbituric acid, 1-Allyl-barbitursaeure, starbld0007587
| Molecular Formula | C7H8N2O3 |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0535 |
| Heavy Atoms | 12 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 4160-75-2 |
|---|---|
| SMILES | C=CCN1C(=O)CC(=O)NC1=O |
| InChIKey | FPCPHLUYAHCAKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 4160-75-2), with molecular formula C7H8N2O3 and molecular weight 168.05 g/mol. IUPAC: 1-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of -0.2 indicates that 1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione 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
Frequently Asked Questions
What is the CAS number of 1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione is 4160-75-2.
What is the molecular formula of 1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione is C7H8N2O3.
What is the molecular weight of 1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione is 168.05 g/mol.
Where can I buy 1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.