TL;DR: 5-Oxo-1,5-dihydroimidazo[1,2-a]pyrimidine-6-carbonitrile (CAS 169298-50-4) is a chemical compound with molecular formula C7H4N4O and molecular weight 160.03851 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-oxo-1H-imidazo[1,2-a]pyrimidine-6-carbonitrile
Also Known As: 5-oxo-1,5-dihydroimidazo[1,2-a]pyrimidine-6-carbonitrile, 5-oxo-1H-imidazo[1,2-a]pyrimidine-6-carbonitrile, AE-406/41055911, 5-oxo-1H,5H-imidazo[1,2-a]pyrimidine-6-carbonitrile, 5-oxo-4-hydro-4-imidazolino[1,2-a]pyrimidine-6-carbonitrile
| Molecular Formula | C7H4N4O |
| Molecular Weight | 160.03851 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.03851 Da |
| Heavy Atoms | 12 |
| Complexity | 381.0 |
| SMILES | C1=CN2C(=O)C(=CN=C2N1)C#N |
| InChIKey | RDKZGJUAUBVUBZ-UHFFFAOYSA-N |
The XLogP value of -1.0 indicates that 5-Oxo-1,5-dihydroimidazo[1,2-a]pyrimidine-6-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Oxo-1,5-dihydroimidazo[1,2-a]pyrimidine-6-carbonitrile. Following Lipinski's Rule of Five, 5-Oxo-1,5-dihydroimidazo[1,2-a]pyrimidine-6-carbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Oxo-1,5-dihydroimidazo[1,2-a]pyrimidine-6-carbonitrile is 169298-50-4.
The molecular formula of 5-Oxo-1,5-dihydroimidazo[1,2-a]pyrimidine-6-carbonitrile is C7H4N4O.
The molecular weight of 5-Oxo-1,5-dihydroimidazo[1,2-a]pyrimidine-6-carbonitrile is 160.03851 g/mol.
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