TL;DR: 1-[4-Azido-5-(isocyanomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CAS 132101-32-7) is a chemical compound with molecular formula C11H12N6O3 and molecular weight 276.09708 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-azido-5-(isocyanomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: Thymidine,3'-azido-3',5'-dideoxy-5'-isocyano- (9CI), 1-[4-azido-5-(isocyanomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
| Molecular Formula | C11H12N6O3 |
| Molecular Weight | 276.09708 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.09708 Da |
| Heavy Atoms | 20 |
| Complexity | 570.0 |
| SMILES | CC1=CN(C(=O)NC1=O)C2CC(C(O2)C[N+]#[C-])N=[N+]=[N-] |
| InChIKey | NRUVIUMKFMNFFI-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-Azido-5-(isocyanomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-Azido-5-(isocyanomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione. Following Lipinski's Rule of Five, 1-[4-Azido-5-(isocyanomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione 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 1-[4-Azido-5-(isocyanomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is 132101-32-7.
The molecular formula of 1-[4-Azido-5-(isocyanomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is C11H12N6O3.
The molecular weight of 1-[4-Azido-5-(isocyanomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is 276.09708 g/mol.
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