5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione
TL;DR: 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione (CAS 57412-58-5) is a chemical compound with molecular formula C7H6N4O2 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione
Also Known As: 5-(1,3-dihydroimidazol-2-ylidene)pyrimidine-2,4-dione, 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione, 5-(1,3-Dihydro-2H-imidazol-2-ylidene)pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C7H6N4O2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.04907 |
| Heavy Atoms | 13 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 57412-58-5 |
|---|---|
| SMILES | C1=CN=C(N1)C2=CNC(=O)NC2=O |
| InChIKey | WIJLJNRYFCNFTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione (CAS 57412-58-5), with molecular formula C7H6N4O2 and molecular weight 178.05 g/mol. IUPAC: 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione
Property Insights of 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione
The XLogP value of -1.2 indicates that 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione has 3 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 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione?
The CAS number of 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione is 57412-58-5.
What is the molecular formula of 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione?
The molecular formula of 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione is C7H6N4O2.
What is the molecular weight of 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione?
The molecular weight of 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione is 178.05 g/mol.
Where can I buy 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione?
You can request a quote for 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.