TL;DR: Dihydro-1-nitroso-2,4(1H,3H)-pyrimidinedione (CAS 16813-36-8) is a chemical compound with molecular formula C4H5N3O3 and molecular weight 143.0331 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-nitroso-1,3-diazinane-2,4-dione
Also Known As: 1-Nitroso-5,6-dihydrouracil, NDHU, Hydrouracil, 1-nitroso-, NO-Dhu, N-nitrosodihydrouracil
| Molecular Formula | C4H5N3O3 |
| Molecular Weight | 143.0331 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 78.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.0331 Da |
| Heavy Atoms | 10 |
| Complexity | 190.0 |
| SMILES | C1CN(C(=O)NC1=O)N=O |
| InChIKey | NTUQAPWIPIIWLT-UHFFFAOYSA-N |
The XLogP value of -1.3 indicates that Dihydro-1-nitroso-2,4(1H,3H)-pyrimidinedione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihydro-1-nitroso-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, Dihydro-1-nitroso-2,4(1H,3H)-pyrimidinedione 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 Dihydro-1-nitroso-2,4(1H,3H)-pyrimidinedione is 16813-36-8.
The molecular formula of Dihydro-1-nitroso-2,4(1H,3H)-pyrimidinedione is C4H5N3O3.
The molecular weight of Dihydro-1-nitroso-2,4(1H,3H)-pyrimidinedione is 143.0331 g/mol.
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