TL;DR: Pyrimidine, 3,4,5,6-tetrahydro-2-(4-methoxy-alpha-phenoxybenzyl)- (CAS 53036-61-6) is a chemical compound with molecular formula C18H20N2O2 and molecular weight 296.15247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-methoxyphenyl)-phenoxymethyl]-1,4,5,6-tetrahydropyrimidine
Also Known As: 2-(4-Methoxy-alpha-phenoxybenzyl)-3,4,5,6-tetrahydropyrimidine, 3,4,5,6-Tetrahydro-2-(4-methoxy-alpha-phenoxybenzyl)pyrimidine, 2-[(4-methoxyphenyl)(phenoxy)methyl]-1,4,5,6-tetrahydropyrimidine, Pyrimidine, 3,4,5,6-tetrahydro-2-(4-methoxy-alpha-phenoxybenzyl)-, 2-[(4-methoxyphenyl)-phenoxymethyl]-1,4,5,6-tetrahydropyrimidine
| Molecular Formula | C18H20N2O2 |
| Molecular Weight | 296.15247 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 42.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.15247 Da |
| Heavy Atoms | 22 |
| Complexity | 358.0 |
| SMILES | COC1=CC=C(C=C1)C(C2=NCCCN2)OC3=CC=CC=C3 |
| InChIKey | MZYHYIBCEPKOOT-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 3,4,5,6-tetrahydro-2-(4-methoxy-alpha-phenoxybenzyl)-. With a topological polar surface area (TPSA) of 42.9 Ų, Pyrimidine, 3,4,5,6-tetrahydro-2-(4-methoxy-alpha-phenoxybenzyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 3,4,5,6-tetrahydro-2-(4-methoxy-alpha-phenoxybenzyl)- has 1 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 Pyrimidine, 3,4,5,6-tetrahydro-2-(4-methoxy-alpha-phenoxybenzyl)- is 53036-61-6.
The molecular formula of Pyrimidine, 3,4,5,6-tetrahydro-2-(4-methoxy-alpha-phenoxybenzyl)- is C18H20N2O2.
The molecular weight of Pyrimidine, 3,4,5,6-tetrahydro-2-(4-methoxy-alpha-phenoxybenzyl)- is 296.15247 g/mol.
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