TL;DR: 5-Bromo-2-chloro-4-morpholinopyrimidine (CAS 139502-01-5) is a chemical compound with molecular formula C8H9BrClN3O and molecular weight 276.96176 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(5-bromo-2-chloropyrimidin-4-yl)morpholine
Also Known As: 5-bromo-2-chloro-4-morpholinopyrimidine, 4-(5-bromo-2-chloropyrimidin-4-yl)morpholine, Morpholine, 4-(5-bromo-2-chloro-4-pyrimidinyl)-, 4CH-006754, Q-1292
| Molecular Formula | C8H9BrClN3O |
| Molecular Weight | 276.96176 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.96176 Da |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
| SMILES | C1COCCN1C2=NC(=NC=C2Br)Cl |
| InChIKey | QSJHIFOKLBHDEH-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-chloro-4-morpholinopyrimidine. With a topological polar surface area (TPSA) of 38.3 Ų, 5-Bromo-2-chloro-4-morpholinopyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-chloro-4-morpholinopyrimidine has 0 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 5-Bromo-2-chloro-4-morpholinopyrimidine is 139502-01-5.
The molecular formula of 5-Bromo-2-chloro-4-morpholinopyrimidine is C8H9BrClN3O.
The molecular weight of 5-Bromo-2-chloro-4-morpholinopyrimidine is 276.96176 g/mol.
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