6-Methyl-5-nitrouracil
TL;DR: 6-Methyl-5-nitrouracil (CAS 16632-21-6) 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.
6-methyl-5-nitro-1H-pyrimidine-2,4-dione
Also Known As: 5-Nitro-6-methyluracil, 6-Methyl-5-nitrouracil, 6-Metyl-5-nitrouracil, 6-methyl-5-nitropyrimidine-2,4(1H,3H)-dione, 2,4-Dihydroxy-6-methyl-5-nitropyrimidine
| Molecular Formula | C5H5N3O4 |
|---|---|
| Molecular Weight | 171.03 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.028 |
| Heavy Atoms | 12 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 16632-21-6 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=O)N1)[N+](=O)[O-] |
| InChIKey | LIVYMRJSNFHYEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methyl-5-nitrouracil (CAS 16632-21-6), with molecular formula C5H5N3O4 and molecular weight 171.03 g/mol. IUPAC: 6-methyl-5-nitro-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-Methyl-5-nitrouracil
Property Insights of 6-Methyl-5-nitrouracil
The XLogP value of -0.6 indicates that 6-Methyl-5-nitrouracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methyl-5-nitrouracil. Following Lipinski's Rule of Five, 6-Methyl-5-nitrouracil has 2 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 6-Methyl-5-nitrouracil?
The CAS number of 6-Methyl-5-nitrouracil is 16632-21-6.
What is the molecular formula of 6-Methyl-5-nitrouracil?
The molecular formula of 6-Methyl-5-nitrouracil is C5H5N3O4.
What is the molecular weight of 6-Methyl-5-nitrouracil?
The molecular weight of 6-Methyl-5-nitrouracil is 171.03 g/mol.
Where can I buy 6-Methyl-5-nitrouracil?
You can request a quote for 6-Methyl-5-nitrouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-5-nitrouracil?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-5-nitrouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.