TL;DR: 1-(4,6-dimethylpyrimidin-2-yl)-3,4,4-trimethyl-1,3a,3b,4,4a,5-hexahydro-5aH-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-5a-ol (CAS 1212108-89-8) is a chemical compound with molecular formula C16H22N4O and molecular weight 286.17935 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(4,6-dimethylpyrimidin-2-yl)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]non-8-en-6-ol
Also Known As: 1-(4,6-dimethylpyrimidin-2-yl)-3,4,4-trimethyl-1,3a,3b,4,4a,5-hexahydro-5aH-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-5a-ol, 1-(4,6-dimethylpyrimidin-2-yl)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-5a-ol
| Molecular Formula | C16H22N4O |
| Molecular Weight | 286.17935 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.17935 Da |
| Heavy Atoms | 21 |
| Complexity | 495.0 |
| SMILES | CC1=CC(=NC(=N1)N2C3(CC4C(C3C(=N2)C)C4(C)C)O)C |
| InChIKey | QYHISDZBDMXIFN-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4,6-dimethylpyrimidin-2-yl)-3,4,4-trimethyl-1,3a,3b,4,4a,5-hexahydro-5aH-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-5a-ol. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4,6-dimethylpyrimidin-2-yl)-3,4,4-trimethyl-1,3a,3b,4,4a,5-hexahydro-5aH-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-5a-ol. Following Lipinski's Rule of Five, 1-(4,6-dimethylpyrimidin-2-yl)-3,4,4-trimethyl-1,3a,3b,4,4a,5-hexahydro-5aH-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-5a-ol has 1 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 1-(4,6-dimethylpyrimidin-2-yl)-3,4,4-trimethyl-1,3a,3b,4,4a,5-hexahydro-5aH-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-5a-ol is 1212108-89-8.
The molecular formula of 1-(4,6-dimethylpyrimidin-2-yl)-3,4,4-trimethyl-1,3a,3b,4,4a,5-hexahydro-5aH-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-5a-ol is C16H22N4O.
The molecular weight of 1-(4,6-dimethylpyrimidin-2-yl)-3,4,4-trimethyl-1,3a,3b,4,4a,5-hexahydro-5aH-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-5a-ol is 286.17935 g/mol.
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