3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione
TL;DR: 3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione (CAS 25912-37-2) is a chemical compound with molecular formula C5H5N3O4 and molecular weight 171.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-nitro-1H-pyrimidine-2,4-dione
Also Known As: 3-Methyl-5-nitrouracil, 3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione, 3-methyl-5-nitro-1H-pyrimidine-2,4-dione, 3-methyl-5-nitro-2,4(1H,3H)pyrimidinedione, pyrimidine-2,4(1H,3H)-dione, 3-methyl-5-nitro-
| Molecular Formula | C5H5N3O4 |
|---|---|
| Molecular Weight | 171.03 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.028 |
| Heavy Atoms | 12 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 25912-37-2 |
|---|---|
| SMILES | CN1C(=O)C(=CNC1=O)[N+](=O)[O-] |
| InChIKey | CZQHCPSSXFKBNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione (CAS 25912-37-2), with molecular formula C5H5N3O4 and molecular weight 171.03 g/mol. IUPAC: 3-methyl-5-nitro-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione
Property Insights of 3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione
The XLogP value of -0.8 indicates that 3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione has 1 hydrogen bond donor(s) and 4 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 3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione?
The CAS number of 3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione is 25912-37-2.
What is the molecular formula of 3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione?
The molecular formula of 3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione is C5H5N3O4.
What is the molecular weight of 3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione?
The molecular weight of 3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione is 171.03 g/mol.
Where can I buy 3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione?
You can request a quote for 3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.