TL;DR: Benzamide, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy- (CAS 55687-57-5) is a chemical compound with molecular formula C14H17N5O3 and molecular weight 303.13315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxybenzamide
Also Known As: 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxybenzamide, 5-25-17-00185 (Beilstein Handbook Reference), Benzamide, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, 4-((2,4-Diamino-5-pyrimidinyl)methyl)-2,6-dimethoxybenzamide, J1.575.088J
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H17N5O3 |
| Molecular Weight | 303.13315 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.13315 Da |
| Heavy Atoms | 22 |
| Complexity | 369.0 |
| SMILES | COC1=CC(=CC(=C1C(=O)N)OC)CC2=CN=C(N=C2N)N |
| InChIKey | LPLBKXARLUPNDA-UHFFFAOYSA-N |
The XLogP value of -0.9 indicates that Benzamide, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-. Following Lipinski's Rule of Five, Benzamide, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy- has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzamide, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy- is 55687-57-5.
The molecular formula of Benzamide, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy- is C14H17N5O3.
The molecular weight of Benzamide, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy- is 303.13315 g/mol.
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