![5-[(2-Pyrrolyl)methylene]pyrimidine-2,4,6(1H,3H,5H)-trione structure](/static/products/905/90533-41-8.png)
5-[(2-Pyrrolyl)methylene]pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-[(2-Pyrrolyl)methylene]pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 90533-41-8) is a chemical compound with molecular formula C9H7N3O3 and molecular weight 205.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-(pyrrol-2-ylidenemethyl)-1H-pyrimidine-2,4-dione
Also Known As: 5-[(2-Pyrrolyl)methylene]pyrimidine-2,4,6(1H,3H,5H)-trione, 5-(1H-pyrrol-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C9H7N3O3 |
|---|---|
| Molecular Weight | 205.05 g/mol |
| LogP | -0.2497 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.04874 |
| Heavy Atoms | 15 |
| Complexity | 575.3555 |
Chemical Identifiers
| CAS Number | 90533-41-8 |
|---|---|
| SMILES | C1=CC(=CC2=C(NC(=O)NC2=O)O)N=C1 |
Product Overview
5-[(2-Pyrrolyl)methylene]pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 90533-41-8), with molecular formula C9H7N3O3 and molecular weight 205.05 g/mol. IUPAC: 6-hydroxy-5-(pyrrol-2-ylidenemethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-[(2-Pyrrolyl)methylene]pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-[(2-Pyrrolyl)methylene]pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of -0.2497 indicates that 5-[(2-Pyrrolyl)methylene]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 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2-Pyrrolyl)methylene]pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-[(2-Pyrrolyl)methylene]pyrimidine-2,4,6(1H,3H,5H)-trione has 3 hydrogen bond donor(s) and 4 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 5-[(2-Pyrrolyl)methylene]pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-[(2-Pyrrolyl)methylene]pyrimidine-2,4,6(1H,3H,5H)-trione is 90533-41-8.
What is the molecular formula of 5-[(2-Pyrrolyl)methylene]pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-[(2-Pyrrolyl)methylene]pyrimidine-2,4,6(1H,3H,5H)-trione is C9H7N3O3.
What is the molecular weight of 5-[(2-Pyrrolyl)methylene]pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-[(2-Pyrrolyl)methylene]pyrimidine-2,4,6(1H,3H,5H)-trione is 205.05 g/mol.
Where can I buy 5-[(2-Pyrrolyl)methylene]pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-[(2-Pyrrolyl)methylene]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 5-[(2-Pyrrolyl)methylene]pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-Pyrrolyl)methylene]pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.