6-amino-5-(nitro)-3-methylpyrimidin-4(3H)-one
TL;DR: 6-amino-5-(nitro)-3-methylpyrimidin-4(3H)-one (CAS 100130-21-0) is a chemical compound with molecular formula C5H6N4O3 and molecular weight 170.04399 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-3-methyl-5-nitropyrimidin-4-one
Also Known As: 6-amino-5-(nitro)-3-methylpyrimidin-4(3H)-one, 6-amino-3-methyl-5-nitropyrimidin-4-one, 6-Amino-3-methyl-5-nitropyrimidin-4(3H)-one, 6-amino-3-methyl-5-nitro-3-hydropyrimidin-4-one, AB-323/25048261
Technical Specifications
| Molecular Formula | C5H6N4O3 |
| Molecular Weight | 170.04399 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.04399 Da |
| Heavy Atoms | 12 |
| Complexity | 300.0 |
| SMILES | CN1C=NC(=C(C1=O)[N+](=O)[O-])N |
| InChIKey | HCTKNRQMDRVBHW-UHFFFAOYSA-N |
Chemical Property Profile of 6-amino-5-(nitro)-3-methylpyrimidin-4(3H)-one
Property Insights of 6-amino-5-(nitro)-3-methylpyrimidin-4(3H)-one
The XLogP value of -0.4 indicates that 6-amino-5-(nitro)-3-methylpyrimidin-4(3H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-5-(nitro)-3-methylpyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 6-amino-5-(nitro)-3-methylpyrimidin-4(3H)-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
What is the CAS number of 6-amino-5-(nitro)-3-methylpyrimidin-4(3H)-one?
The CAS number of 6-amino-5-(nitro)-3-methylpyrimidin-4(3H)-one is 100130-21-0.
What is the molecular formula of 6-amino-5-(nitro)-3-methylpyrimidin-4(3H)-one?
The molecular formula of 6-amino-5-(nitro)-3-methylpyrimidin-4(3H)-one is C5H6N4O3.
What is the molecular weight of 6-amino-5-(nitro)-3-methylpyrimidin-4(3H)-one?
The molecular weight of 6-amino-5-(nitro)-3-methylpyrimidin-4(3H)-one is 170.04399 g/mol.
Where can I buy 6-amino-5-(nitro)-3-methylpyrimidin-4(3H)-one?
You can request a quote for 6-amino-5-(nitro)-3-methylpyrimidin-4(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-amino-5-(nitro)-3-methylpyrimidin-4(3H)-one?
Yes, CoreyChem provides custom synthesis services for 6-amino-5-(nitro)-3-methylpyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.