TL;DR: 24-NH2Pyrimidn,5(35meo-4-CO2ME)benzyl (CAS 55687-40-6) is a chemical compound with molecular formula C15H18N4O4 and molecular weight 318.1328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxybenzoate
Also Known As: 6-BROMOQUINOXALIN-2(1H)-ONE, 24-NH2PYRIMIDN,5(35MEO-4-CO2ME)BENZYL, 5-25-17-00184 (Beilstein Handbook Reference), J1.575.077D, Methyl 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxybenzoate
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H18N4O4 |
| Molecular Weight | 318.1328 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.1328 Da |
| Heavy Atoms | 23 |
| Complexity | 384.0 |
| SMILES | COC1=CC(=CC(=C1C(=O)OC)OC)CC2=CN=C(N=C2N)N |
| InChIKey | FAJSZEYRHIXUPR-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 24-NH2Pyrimidn,5(35meo-4-CO2ME)benzyl. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 24-NH2Pyrimidn,5(35meo-4-CO2ME)benzyl. Following Lipinski's Rule of Five, 24-NH2Pyrimidn,5(35meo-4-CO2ME)benzyl has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 24-NH2Pyrimidn,5(35meo-4-CO2ME)benzyl is 55687-40-6.
The molecular formula of 24-NH2Pyrimidn,5(35meo-4-CO2ME)benzyl is C15H18N4O4.
The molecular weight of 24-NH2Pyrimidn,5(35meo-4-CO2ME)benzyl is 318.1328 g/mol.
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