5-(aminomethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-(aminomethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 59025-32-0) is a chemical compound with molecular formula C5H5N3O3 and molecular weight 155.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-methanimidoyl-1H-pyrimidine-2,4-dione
Also Known As: 5-aminomethylenebarbituric acid, aminomethylenepyrimidine-2,4,6-trione, 5-(aminomethylidene)-1,3-diazinane-2,4,6-trione, 5-(aminomethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-(aminomethylene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C5H5N3O3 |
|---|---|
| Molecular Weight | 155.03 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.0331 |
| Heavy Atoms | 11 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 59025-32-0 |
|---|---|
| SMILES | C(=N)C1=C(NC(=O)NC1=O)O |
| InChIKey | AYDXXXDYFODELX-UHFFFAOYSA-N |
Product Overview
5-(aminomethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 59025-32-0), with molecular formula C5H5N3O3 and molecular weight 155.03 g/mol. IUPAC: 6-hydroxy-5-methanimidoyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(aminomethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-(aminomethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of -1.4 indicates that 5-(aminomethylidene)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 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(aminomethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-(aminomethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione has 4 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-(aminomethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-(aminomethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 59025-32-0.
What is the molecular formula of 5-(aminomethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-(aminomethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C5H5N3O3.
What is the molecular weight of 5-(aminomethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-(aminomethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 155.03 g/mol.
Where can I buy 5-(aminomethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-(aminomethylidene)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-(aminomethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(aminomethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.