2-Amino-5-nitropyrimidin-4(1H)-one
TL;DR: 2-Amino-5-nitropyrimidin-4(1H)-one (CAS 73299-47-5) is a chemical compound with molecular formula C4H4N4O3 and molecular weight 156.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-nitro-1H-pyrimidin-6-one
Also Known As: 2-Amino-5-nitropyrimidin-4(1H)-one, 5-nitroisocytosine, 2-amino-5-nitropyrimidin-4(3h)-one, 2-amino-5-nitro-1H-pyrimidin-6-one, 2-Amino-5-nitropyrimidin-4-ol
| Molecular Formula | C4H4N4O3 |
|---|---|
| Molecular Weight | 156.03 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.02834 |
| Heavy Atoms | 11 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 73299-47-5 |
|---|---|
| SMILES | C1=C(C(=O)NC(=N1)N)[N+](=O)[O-] |
| InChIKey | XQMCRIHJUALWCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-5-nitropyrimidin-4(1H)-one (CAS 73299-47-5), with molecular formula C4H4N4O3 and molecular weight 156.03 g/mol. IUPAC: 2-amino-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of 2-Amino-5-nitropyrimidin-4(1H)-one
Property Insights of 2-Amino-5-nitropyrimidin-4(1H)-one
The XLogP value of -1.3 indicates that 2-Amino-5-nitropyrimidin-4(1H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-5-nitropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 2-Amino-5-nitropyrimidin-4(1H)-one 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 2-Amino-5-nitropyrimidin-4(1H)-one?
The CAS number of 2-Amino-5-nitropyrimidin-4(1H)-one is 73299-47-5.
What is the molecular formula of 2-Amino-5-nitropyrimidin-4(1H)-one?
The molecular formula of 2-Amino-5-nitropyrimidin-4(1H)-one is C4H4N4O3.
What is the molecular weight of 2-Amino-5-nitropyrimidin-4(1H)-one?
The molecular weight of 2-Amino-5-nitropyrimidin-4(1H)-one is 156.03 g/mol.
Where can I buy 2-Amino-5-nitropyrimidin-4(1H)-one?
You can request a quote for 2-Amino-5-nitropyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-5-nitropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5-nitropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.