TL;DR: ethyl 4-((2-((4-bromophenyl)carbamoyl)phenyl)amino)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate (CAS 1009190-64-0) is a chemical compound with molecular formula C25H23BrN6O3 and molecular weight 534.1015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[2-[(4-bromophenyl)carbamoyl]anilino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
Also Known As: ethyl 4-((2-((4-bromophenyl)carbamoyl)phenyl)amino)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate, ethyl 4-({2-[(4-bromophenyl)carbamoyl]phenyl}amino)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate, ethyl 4-[2-[(4-bromophenyl)carbamoyl]anilino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
| Molecular Formula | C25H23BrN6O3 |
| Molecular Weight | 534.1015 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 534.1015 Da |
| Heavy Atoms | 35 |
| Complexity | 721.0 |
| SMILES | CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)Br)N4C(=CC(=N4)C)C |
| InChIKey | FHXVWLYIXYJGGH-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that ethyl 4-((2-((4-bromophenyl)carbamoyl)phenyl)amino)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((2-((4-bromophenyl)carbamoyl)phenyl)amino)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 4-((2-((4-bromophenyl)carbamoyl)phenyl)amino)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of ethyl 4-((2-((4-bromophenyl)carbamoyl)phenyl)amino)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate is 1009190-64-0.
The molecular formula of ethyl 4-((2-((4-bromophenyl)carbamoyl)phenyl)amino)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate is C25H23BrN6O3.
The molecular weight of ethyl 4-((2-((4-bromophenyl)carbamoyl)phenyl)amino)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate is 534.1015 g/mol.
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