![1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione structure](/static/products/116/1164481-51-9.webp)
1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 1164481-51-9) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.0957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: (Z)-1-allyl-5-((1-methyl-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione, 1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione, (5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Technical Specifications
| Molecular Formula | C13H13N3O3 |
| Molecular Weight | 259.0957 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.0957 Da |
| Heavy Atoms | 19 |
| Complexity | 470.0 |
| SMILES | CN1C=CC=C1/C=C\2/C(=O)NC(=O)N(C2=O)CC=C |
| InChIKey | QIUXKGAQDNVCKQ-NTMALXAHSA-N |
Chemical Property Profile of 1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione 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 1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione is 1164481-51-9.
What is the molecular formula of 1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione is C13H13N3O3.
What is the molecular weight of 1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione is 259.0957 g/mol.
Where can I buy 1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, CoreyChem provides custom synthesis services for 1-allyl-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.