4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one
TL;DR: 4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one (CAS 69100-00-1) is a chemical compound with molecular formula C5H6N4O3 and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-methyl-5-nitropyrimidin-2-one
Also Known As: 1-Methyl-5-nitrocytosine, 4-amino-1-methyl-5-nitropyrimidin-2-one, 4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one, 4-amino-1-methyl-5-nitro-1H-pyrimidin-2-one, J1.626.293E
| Molecular Formula | C5H6N4O3 |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | -0.7293 |
| Topological Polar Surface Area | 104.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.04399 |
| Heavy Atoms | 12 |
| Complexity | 382.77 |
Chemical Identifiers
| CAS Number | 69100-00-1 |
|---|---|
| SMILES | CN1C=C(C(=NC1=O)N)[N+](=O)[O-] |
Product Overview
4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one (CAS 69100-00-1), with molecular formula C5H6N4O3 and molecular weight 170.04 g/mol. IUPAC: 4-amino-1-methyl-5-nitropyrimidin-2-one.
Chemical Property Profile of 4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one
Property Insights of 4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one
The XLogP value of -0.7293 indicates that 4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one has 1 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 4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one?
The CAS number of 4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one is 69100-00-1.
What is the molecular formula of 4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one?
The molecular formula of 4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one is C5H6N4O3.
What is the molecular weight of 4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one?
The molecular weight of 4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one is 170.04 g/mol.
Where can I buy 4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one?
You can request a quote for 4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-5-(nitro)-1-methylpyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.