TL;DR: Pimefyllin (CAS 10001-43-1) is a chemical compound with molecular formula C15H18N6O2 and molecular weight 314.1491 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-7-[2-(pyridin-3-ylmethylamino)ethyl]purine-2,6-dione
Also Known As: Pimefylline, Pimephylline, Pimefilina, Pimefyllin, Pimefyllinum
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H18N6O2 |
| Molecular Weight | 314.1491 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.1491 Da |
| Heavy Atoms | 23 |
| Complexity | 459.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC3=CN=CC=C3 |
| InChIKey | CDHVRXOLGDSJGX-UHFFFAOYSA-N |
The XLogP value of -0.5 indicates that Pimefyllin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pimefyllin. Following Lipinski's Rule of Five, Pimefyllin has 1 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 Pimefyllin is 10001-43-1.
The molecular formula of Pimefyllin is C15H18N6O2.
The molecular weight of Pimefyllin is 314.1491 g/mol.
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