TL;DR: Pyrimidine, 4-(1H-imidazol-1-yl)-2-(1-pyrrolidinyl)-, monohydrochloride (CAS 138801-43-1) is a chemical compound with molecular formula C11H14ClN5 and molecular weight 251.09378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-imidazol-1-yl-2-pyrrolidin-1-ylpyrimidine;hydrochloride
Also Known As: Pyrimidine, 4-(1H-imidazol-1-yl)-2-(1-pyrrolidinyl)-, monohydrochloride, 4-(1H-Imidazol-1-yl)-2-(1-pyrrolidinyl)pyrimidine monohydrochloride, 4-imidazol-1-yl-2-pyrrolidin-1-ylpyrimidine hydrochloride, 4-imidazol-1-yl-2-pyrrolidin-1-ylpyrimidine,hydrochloride, 4-(1H-Imidazol-1-yl)-2-(pyrrolidin-1-yl)pyrimidine--hydrogen chloride (1/1)
| Molecular Formula | C11H14ClN5 |
| Molecular Weight | 251.09378 g/mol |
| XLogP | 1.6843 |
| Topological Polar Surface Area (TPSA) | 46.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.09378 Da |
| Heavy Atoms | 17 |
| Complexity | 228.0 |
| SMILES | C1CCN(C1)C2=NC=CC(=N2)N3C=CN=C3.Cl |
| InChIKey | MXYUWTSFQUDURO-UHFFFAOYSA-N |
The XLogP value of 1.6843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 4-(1H-imidazol-1-yl)-2-(1-pyrrolidinyl)-, monohydrochloride. With a topological polar surface area (TPSA) of 46.8 Ų, Pyrimidine, 4-(1H-imidazol-1-yl)-2-(1-pyrrolidinyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 4-(1H-imidazol-1-yl)-2-(1-pyrrolidinyl)-, monohydrochloride has 1 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 Pyrimidine, 4-(1H-imidazol-1-yl)-2-(1-pyrrolidinyl)-, monohydrochloride is 138801-43-1.
The molecular formula of Pyrimidine, 4-(1H-imidazol-1-yl)-2-(1-pyrrolidinyl)-, monohydrochloride is C11H14ClN5.
The molecular weight of Pyrimidine, 4-(1H-imidazol-1-yl)-2-(1-pyrrolidinyl)-, monohydrochloride is 251.09378 g/mol.
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