TL;DR: Morpholine, 4-(2-(1H-imidazol-1-yl)-4-pyrimidinyl)-, monohydrochloride (CAS 138801-39-5) is a chemical compound with molecular formula C11H14ClN5O and molecular weight 267.08868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine;hydrochloride
Also Known As: Morpholine, 4-(2-(1H-imidazol-1-yl)-4-pyrimidinyl)-, monohydrochloride, 4-(2-(1H-Imidazol-1-yl)-4-pyrimidinyl)morpholine monohydrochloride, 4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine hydrochloride, 4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine,hydrochloride, 4-[2-(1H-Imidazol-1-yl)pyrimidin-4-yl]morpholine--hydrogen chloride (1/1)
| Molecular Formula | C11H14ClN5O |
| Molecular Weight | 267.08868 g/mol |
| XLogP | 0.9207 |
| Topological Polar Surface Area (TPSA) | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.08868 Da |
| Heavy Atoms | 18 |
| Complexity | 246.0 |
| SMILES | C1COCCN1C2=NC(=NC=C2)N3C=CN=C3.Cl |
| InChIKey | RGKYWHFBYIGLIR-UHFFFAOYSA-N |
The XLogP value of 0.9207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Morpholine, 4-(2-(1H-imidazol-1-yl)-4-pyrimidinyl)-, monohydrochloride. With a topological polar surface area (TPSA) of 56.1 Ų, Morpholine, 4-(2-(1H-imidazol-1-yl)-4-pyrimidinyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Morpholine, 4-(2-(1H-imidazol-1-yl)-4-pyrimidinyl)-, monohydrochloride 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 Morpholine, 4-(2-(1H-imidazol-1-yl)-4-pyrimidinyl)-, monohydrochloride is 138801-39-5.
The molecular formula of Morpholine, 4-(2-(1H-imidazol-1-yl)-4-pyrimidinyl)-, monohydrochloride is C11H14ClN5O.
The molecular weight of Morpholine, 4-(2-(1H-imidazol-1-yl)-4-pyrimidinyl)-, monohydrochloride is 267.08868 g/mol.
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