[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]urea
TL;DR: [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]urea (CAS 6960-26-5) is a chemical compound with molecular formula C5H5N5O4 and molecular weight 199.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)iminourea
Also Known As: [(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]urea|pyrimidine-2,4,5,6(1h,3h )-tetrone 5-semicarbazone|2-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)hydrazine-1-carboxamide
| Molecular Formula | C5H5N5O4 |
|---|---|
| Molecular Weight | 199.03 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.03415 |
| Heavy Atoms | 14 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 6960-26-5 |
|---|---|
| SMILES | C1(=C(NC(=O)NC1=O)O)N=NC(=O)N |
| InChIKey | DBTXUWNQXSCEFQ-UHFFFAOYSA-N |
Product Overview
[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]urea (CAS 6960-26-5), with molecular formula C5H5N5O4 and molecular weight 199.03 g/mol. IUPAC: (6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)iminourea.
Chemical Property Profile of [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]urea
Property Insights of [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]urea
The XLogP value of -1.5 indicates that [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]urea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]urea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]urea has 4 hydrogen bond donor(s) and 5 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 [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]urea?
The CAS number of [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]urea is 6960-26-5.
What is the molecular formula of [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]urea?
The molecular formula of [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]urea is C5H5N5O4.
What is the molecular weight of [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]urea?
The molecular weight of [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]urea is 199.03 g/mol.
Where can I buy [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]urea?
You can request a quote for [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]urea?
Yes, KEHONG BIO provides custom synthesis services for [(2,4,6-Trioxo-1,3-diazinan-5-ylidene)amino]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.