TL;DR: 2(1H)-Pyrimidinone, tetrahydro-1,3-bis(hydroxymethyl)-4-methoxy-5,5-dimethyl- (CAS 13747-12-1) is a chemical compound with molecular formula C9H18N2O4 and molecular weight 218.12666 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one
Also Known As: 1,3-bis(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one, Tetrahydro-1,3-bis(hydroxymethyl)-4-methoxy-5,5-dimethyl-1H-pyrimidin-2-one, 2(1H)-Pyrimidinone, tetrahydro-1,3-bis(hydroxymethyl)-4-methoxy-5,5-dimethyl-, 1,3-bis(hydroxymethyl)-4-methoxy-5,5-dimethyltetrahydropyrimidin-2(1H)-one, 2(1H)-Pyrimidinone,tetrahydro-1,3-bis(hydroxymethyl)-4-methoxy-5,5-dimethyl
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H18N2O4 |
| Molecular Weight | 218.12666 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.12666 Da |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
| SMILES | CC1(CN(C(=O)N(C1OC)CO)CO)C |
| InChIKey | VGBDEALNUKLDKK-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Pyrimidinone, tetrahydro-1,3-bis(hydroxymethyl)-4-methoxy-5,5-dimethyl-. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(1H)-Pyrimidinone, tetrahydro-1,3-bis(hydroxymethyl)-4-methoxy-5,5-dimethyl-. Following Lipinski's Rule of Five, 2(1H)-Pyrimidinone, tetrahydro-1,3-bis(hydroxymethyl)-4-methoxy-5,5-dimethyl- has 2 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 2(1H)-Pyrimidinone, tetrahydro-1,3-bis(hydroxymethyl)-4-methoxy-5,5-dimethyl- is 13747-12-1.
The molecular formula of 2(1H)-Pyrimidinone, tetrahydro-1,3-bis(hydroxymethyl)-4-methoxy-5,5-dimethyl- is C9H18N2O4.
The molecular weight of 2(1H)-Pyrimidinone, tetrahydro-1,3-bis(hydroxymethyl)-4-methoxy-5,5-dimethyl- is 218.12666 g/mol.
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