TL;DR: Benzenemethanol, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy- (CAS 55687-49-5) is a chemical compound with molecular formula C14H18N4O3 and molecular weight 290.13788 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-dimethoxyphenyl]methanol
Also Known As: KST-1B5754, 6-BROMOQUINOXALIN-2(1H)-ONE, 5-25-13-00439 (Beilstein Handbook Reference), Benzenemethanol, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, [4-[methyl]-2,6-dimethoxy-phenyl]methanol
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H18N4O3 |
| Molecular Weight | 290.13788 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.13788 Da |
| Heavy Atoms | 21 |
| Complexity | 307.0 |
| SMILES | COC1=CC(=CC(=C1CO)OC)CC2=CN=C(N=C2N)N |
| InChIKey | VDVXNBVVBLPRCL-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanol, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanol, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-. Following Lipinski's Rule of Five, Benzenemethanol, 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 Benzenemethanol, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy- is 55687-49-5.
The molecular formula of Benzenemethanol, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy- is C14H18N4O3.
The molecular weight of Benzenemethanol, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy- is 290.13788 g/mol.
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