TL;DR: 4-(1-(5-Hydroxy-3,5-dimethylpyrazolinyl-2))-2-isopropylthio-6-methylpyrimidine (CAS 154496-73-8) is a chemical compound with molecular formula C13H20N4OS and molecular weight 280.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol
Also Known As: 4-(1-(5-Hydroxy-3,5-dimethylpyrazolinyl-2))-2-isopropylthio-6-methylpyrimidine, 4,5-Dihydro-3,5-dimethyl-1-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-1H-pyrazol-5-ol, 1H-Pyrazol-5-ol, 4,5-dihydro-3,5-dimethyl-1-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-, 3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol, 3,5-Dimethyl-1-{6-methyl-2-[(propan-2-yl)sulfanyl]pyrimidin-4-yl}-4,5-dihydro-1H-pyrazol-5-ol
| Molecular Formula | C13H20N4OS |
| Molecular Weight | 280.13577 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 86.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.13577 Da |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
| SMILES | CC1=NN(C(C1)(C)O)C2=NC(=NC(=C2)C)SC(C)C |
| InChIKey | XAMXUQFIVDTABX-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-(5-Hydroxy-3,5-dimethylpyrazolinyl-2))-2-isopropylthio-6-methylpyrimidine. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-(5-Hydroxy-3,5-dimethylpyrazolinyl-2))-2-isopropylthio-6-methylpyrimidine. Following Lipinski's Rule of Five, 4-(1-(5-Hydroxy-3,5-dimethylpyrazolinyl-2))-2-isopropylthio-6-methylpyrimidine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(1-(5-Hydroxy-3,5-dimethylpyrazolinyl-2))-2-isopropylthio-6-methylpyrimidine is 154496-73-8.
The molecular formula of 4-(1-(5-Hydroxy-3,5-dimethylpyrazolinyl-2))-2-isopropylthio-6-methylpyrimidine is C13H20N4OS.
The molecular weight of 4-(1-(5-Hydroxy-3,5-dimethylpyrazolinyl-2))-2-isopropylthio-6-methylpyrimidine is 280.13577 g/mol.
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