TL;DR: P-2-Pyrimidinylphosphonic acid (CAS 101257-34-5) is a chemical compound with molecular formula C4H5N2O3P and molecular weight 160.00378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyrimidin-2-ylphosphonic acid
Also Known As: 2-pyrimidinylphosphonic acid, Pyrimidin-2-ylphosphonic Acid, pyrimidine phosphonate, P-2-Pyrimidinylphosphonic acid, (pyrimidin-2-yl)phosphonic acid
| Molecular Formula | C4H5N2O3P |
| Molecular Weight | 160.00378 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 83.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.00378 Da |
| Heavy Atoms | 10 |
| Complexity | 151.0 |
| SMILES | C1=CN=C(N=C1)P(=O)(O)O |
| InChIKey | NPEFFXOKPYJLTF-UHFFFAOYSA-N |
The XLogP value of -1.4 indicates that P-2-Pyrimidinylphosphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for P-2-Pyrimidinylphosphonic acid. Following Lipinski's Rule of Five, P-2-Pyrimidinylphosphonic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of P-2-Pyrimidinylphosphonic acid is 101257-34-5.
The molecular formula of P-2-Pyrimidinylphosphonic acid is C4H5N2O3P.
The molecular weight of P-2-Pyrimidinylphosphonic acid is 160.00378 g/mol.
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