TL;DR: 2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)- (CAS 20285-70-5) is a chemical compound with molecular formula C12H14N4O and molecular weight 230.11676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
Also Known As: 2,4-Diamino-5-(4-methoxybenzyl)pyrimidine, 5-(4-Methoxybenzyl)-2,4-pyrimidinediamine, 5-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine, 2,4-Pyrimidinediamine, 5-[(4-methoxyphenyl)methyl]-, 5-(4-methoxybenzyl)pyrimidine-2,4-diamine
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H14N4O |
| Molecular Weight | 230.11676 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.11676 Da |
| Heavy Atoms | 17 |
| Complexity | 231.0 |
| SMILES | COC1=CC=C(C=C1)CC2=CN=C(N=C2N)N |
| InChIKey | YMGUVTBVYOGUFZ-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-. Following Lipinski's Rule of Five, 2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)- is 20285-70-5.
The molecular formula of 2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)- is C12H14N4O.
The molecular weight of 2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)- is 230.11676 g/mol.
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