TL;DR: Ethyl 4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]pyrimidine-5-carboxylate (CAS 777868-06-1) is a chemical compound with molecular formula C19H21N5O2 and molecular weight 351.16953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]pyrimidine-5-carboxylate
Also Known As: BAS 12290675, ethyl 4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]pyrimidine-5-carboxylate, ethyl 4-methyl-2-((4,6,8-trimethylquinazolin-2-yl)amino)pyrimidine-5-carboxylate, ethyl 4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]pyrimidine-5-carboxyla te, ethyl 4-methyl-2-{[(2E)-4,6,8-trimethylquinazolin-2(1H)-ylidene]amino}pyrimidine-5-carboxylate
| Molecular Formula | C19H21N5O2 |
| Molecular Weight | 351.16953 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.16953 Da |
| Heavy Atoms | 26 |
| Complexity | 491.0 |
| SMILES | CCOC(=O)C1=CN=C(N=C1C)NC2=NC3=C(C=C(C=C3C(=N2)C)C)C |
| InChIKey | LFSBPIWOQFDFGT-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that Ethyl 4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]pyrimidine-5-carboxylate has 1 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 Ethyl 4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]pyrimidine-5-carboxylate is 777868-06-1.
The molecular formula of Ethyl 4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]pyrimidine-5-carboxylate is C19H21N5O2.
The molecular weight of Ethyl 4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]pyrimidine-5-carboxylate is 351.16953 g/mol.
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