TL;DR: Urea, 1,1'-(2,6-pyridylidenedimethylene)bis(3-methyl- (CAS 16578-11-3) is a chemical compound with molecular formula C11H17N5O2 and molecular weight 251.13823 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-3-[[6-[(methylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea
Also Known As: Urea, 1,1'-(2,6-pyridylidenedimethylene)bis(3-methyl-, 2,6-Bis((1'-methylureylene-3')methyl)pyridine, 1,1'-(2,6-Pyridylidenedimethylene)bis(3-methylurea), 5-22-11-00280 (Beilstein Handbook Reference), 1,1 -(2,6-Pyridinediylbismethylene)bis(3-methylurea)
| Molecular Formula | C11H17N5O2 |
| Molecular Weight | 251.13823 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.13823 Da |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
| SMILES | CNC(=O)NCC1=NC(=CC=C1)CNC(=O)NC |
| InChIKey | BFWYHNCIUCKQDC-UHFFFAOYSA-N |
The XLogP value of -1.2 indicates that Urea, 1,1'-(2,6-pyridylidenedimethylene)bis(3-methyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1,1'-(2,6-pyridylidenedimethylene)bis(3-methyl-. Following Lipinski's Rule of Five, Urea, 1,1'-(2,6-pyridylidenedimethylene)bis(3-methyl- has 4 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 Urea, 1,1'-(2,6-pyridylidenedimethylene)bis(3-methyl- is 16578-11-3.
The molecular formula of Urea, 1,1'-(2,6-pyridylidenedimethylene)bis(3-methyl- is C11H17N5O2.
The molecular weight of Urea, 1,1'-(2,6-pyridylidenedimethylene)bis(3-methyl- is 251.13823 g/mol.
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