TL;DR: 5-Pyrimidinol, hexahydro-2,2-dimethyl-5-phenyl- (CAS 114703-62-7) is a chemical compound with molecular formula C12H18N2O and molecular weight 206.1419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol
Also Known As: CRL 41365, 5-Pyrimidinol, hexahydro-2,2-dimethyl-5-phenyl-, 2,2-Dimethyl-5-phenyl-5-hexahydropyrimidinol, 2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol, 2,2-Dimethyl-5-hydroxy-5-phenyl-1,2,3,4,5,6-hexahydropyrimidine
| Molecular Formula | C12H18N2O |
| Molecular Weight | 206.1419 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 44.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.1419 Da |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
| SMILES | CC1(NCC(CN1)(C2=CC=CC=C2)O)C |
| InChIKey | QGGPUQSNSNOZSM-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pyrimidinol, hexahydro-2,2-dimethyl-5-phenyl-. With a topological polar surface area (TPSA) of 44.3 Ų, 5-Pyrimidinol, hexahydro-2,2-dimethyl-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Pyrimidinol, hexahydro-2,2-dimethyl-5-phenyl- has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Pyrimidinol, hexahydro-2,2-dimethyl-5-phenyl- is 114703-62-7.
The molecular formula of 5-Pyrimidinol, hexahydro-2,2-dimethyl-5-phenyl- is C12H18N2O.
The molecular weight of 5-Pyrimidinol, hexahydro-2,2-dimethyl-5-phenyl- is 206.1419 g/mol.
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