TL;DR: Phenol, 2-[2-amino-6-(4-chlorophenyl)-4-pyrimidinyl]- (CAS 155733-27-0) is a chemical compound with molecular formula C16H12ClN3O and molecular weight 297.0669 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]phenol
Also Known As: Phenol, 2-[2-amino-6-(4-chlorophenyl)-4-pyrimidinyl]-, 2-[2-amino-6-(4-chlorophenyl)-4-pyrimidinyl]phenol, 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]phenol, 2-[2-Amino-6-(4-chlorophenyl)-pyrimidin-4-yl]-phenol, Phenol,2-[2-amino-6-(4-chlorophenyl)-4-pyrimidinyl]
| Molecular Formula | C16H12ClN3O |
| Molecular Weight | 297.0669 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 72.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.0669 Da |
| Heavy Atoms | 21 |
| Complexity | 335.0 |
| SMILES | C1=CC=C(C(=C1)C2=NC(=NC(=C2)C3=CC=C(C=C3)Cl)N)O |
| InChIKey | CMYSPHIEHNZLJW-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that Phenol, 2-[2-amino-6-(4-chlorophenyl)-4-pyrimidinyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 2-[2-amino-6-(4-chlorophenyl)-4-pyrimidinyl]-. Following Lipinski's Rule of Five, Phenol, 2-[2-amino-6-(4-chlorophenyl)-4-pyrimidinyl]- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phenol, 2-[2-amino-6-(4-chlorophenyl)-4-pyrimidinyl]- is 155733-27-0.
The molecular formula of Phenol, 2-[2-amino-6-(4-chlorophenyl)-4-pyrimidinyl]- is C16H12ClN3O.
The molecular weight of Phenol, 2-[2-amino-6-(4-chlorophenyl)-4-pyrimidinyl]- is 297.0669 g/mol.
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