TL;DR: Benzyl alcohol, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha-methyl- (CAS 55687-78-0) is a chemical compound with molecular formula C15H20N4O3 and molecular weight 304.15353 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]ethanol
Also Known As: 4-(2,4-Diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha-methylbenzyl alcohol, BENZYL ALCOHOL, 4-(2,4-DIAMINO-5-PYRIMIDINYLMETHYL)-2,6-DIMETHOXY-alpha-METHYL-, 1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]ethanol, 1-{4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl}ethan-1-ol, 4-[(2,4-Diamino-5-pyrimidinyl)methyl]-2,6-dimethoxy-alpha-methylbenzyl alcohol
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H20N4O3 |
| Molecular Weight | 304.15353 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.15353 Da |
| Heavy Atoms | 22 |
| Complexity | 333.0 |
| SMILES | CC(C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC)O |
| InChIKey | BUBSKBKPEADZAE-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl alcohol, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha-methyl-. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl alcohol, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha-methyl-. Following Lipinski's Rule of Five, Benzyl alcohol, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha-methyl- 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 Benzyl alcohol, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha-methyl- is 55687-78-0.
The molecular formula of Benzyl alcohol, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha-methyl- is C15H20N4O3.
The molecular weight of Benzyl alcohol, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha-methyl- is 304.15353 g/mol.
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