TL;DR: Pyrimidine, 4-((2-(nitromethylene)-1-imidazolidinyl)methyl)- (CAS 105829-16-1) is a chemical compound with molecular formula C9H11N5O2 and molecular weight 221.09128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyrimidine
Also Known As: Pyrimidine, 4-((2-(nitromethylene)-1-imidazolidinyl)methyl)-, 4-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyrimidine
| Molecular Formula | C9H11N5O2 |
| Molecular Weight | 221.09128 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 86.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.09128 Da |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
| SMILES | C1CN(/C(=C\[N+](=O)[O-])/N1)CC2=NC=NC=C2 |
| InChIKey | FYZSPRUVZVFKPC-TWGQIWQCSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 4-((2-(nitromethylene)-1-imidazolidinyl)methyl)-. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine, 4-((2-(nitromethylene)-1-imidazolidinyl)methyl)-. Following Lipinski's Rule of Five, Pyrimidine, 4-((2-(nitromethylene)-1-imidazolidinyl)methyl)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrimidine, 4-((2-(nitromethylene)-1-imidazolidinyl)methyl)- is 105829-16-1.
The molecular formula of Pyrimidine, 4-((2-(nitromethylene)-1-imidazolidinyl)methyl)- is C9H11N5O2.
The molecular weight of Pyrimidine, 4-((2-(nitromethylene)-1-imidazolidinyl)methyl)- is 221.09128 g/mol.
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