1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
TL;DR: 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione (CAS 41613-26-7) is a chemical compound with molecular formula C6H7N3O4 and molecular weight 185.04366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-5-nitropyrimidine-2,4-dione
Also Known As: 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione, 1,3-Dimethyl-5-nitrouracil, 1,3-Dimethyl-5-nitrouracil hydrate, 1,3-dimethyl-5-nitropyrimidine-2,4-dione, 5-Nitro-1,3-dimethyluracil
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H7N3O4 |
| Molecular Weight | 185.04366 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 86.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.04366 Da |
| Heavy Atoms | 13 |
| Complexity | 316.0 |
| SMILES | CN1C=C(C(=O)N(C1=O)C)[N+](=O)[O-] |
| InChIKey | SDLBIQNBDPOOPJ-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
Property Insights of 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
The XLogP value of -0.6 indicates that 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione?
The CAS number of 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione is 41613-26-7.
What is the molecular formula of 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione?
The molecular formula of 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione is C6H7N3O4.
What is the molecular weight of 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione?
The molecular weight of 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione is 185.04366 g/mol.
Where can I buy 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione?
You can request a quote for 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione?
Yes, CoreyChem provides custom synthesis services for 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.