TL;DR: Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)- (CAS 154496-64-7) is a chemical compound with molecular formula C12H19N3OS and molecular weight 253.12488 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine
Also Known As: Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-, 4-(6-Methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)morpholine, 4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine, 4-{6-Methyl-2-[(propan-2-yl)sulfanyl]pyrimidin-4-yl}morpholine
| Molecular Formula | C12H19N3OS |
| Molecular Weight | 253.12488 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.12488 Da |
| Heavy Atoms | 17 |
| Complexity | 234.0 |
| SMILES | CC1=CC(=NC(=N1)SC(C)C)N2CCOCC2 |
| InChIKey | BMTDLTSXPWPKTK-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-. Following Lipinski's Rule of Five, Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)- has 0 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 Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)- is 154496-64-7.
The molecular formula of Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)- is C12H19N3OS.
The molecular weight of Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)- is 253.12488 g/mol.
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