1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione (CAS 14305-99-8) is a chemical compound with molecular formula C6H7N3O5 and molecular weight 201.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-nitro-1,3-diazinane-2,4,6-trione
Also Known As: Dimethylnitrobarbitursaure, 1,3-Dimethyl-5-nitrobarbituric acid, 1,3-dimethyl-5-nitro-1,3-diazinane-2,4,6-trione, 1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione,1,3-dimethyl-5-nitro-
| Molecular Formula | C6H7N3O5 |
|---|---|
| Molecular Weight | 201.04 g/mol |
| LogP | -1.3179 |
| Topological Polar Surface Area | 100.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.03857 |
| Heavy Atoms | 14 |
| Complexity | 314.35867 |
Chemical Identifiers
| CAS Number | 14305-99-8 |
|---|---|
| SMILES | CN1C(=O)C(C(=O)N(C1=O)C)[N+](=O)[O-] |
Product Overview
1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione (CAS 14305-99-8), with molecular formula C6H7N3O5 and molecular weight 201.04 g/mol. IUPAC: 1,3-dimethyl-5-nitro-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of -1.3179 indicates that 1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione is 14305-99-8.
What is the molecular formula of 1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione is C6H7N3O5.
What is the molecular weight of 1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione is 201.04 g/mol.
Where can I buy 1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-5-nitropyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.