6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione
TL;DR: 6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione (CAS 50996-12-8) is a chemical compound with molecular formula C5H6N4O4 and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1-methyl-5-nitropyrimidine-2,4-dione
Also Known As: Pamabrom impurity 3, 6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione, 6-amino-1-methyl-5-nitropyrimidine-2,4-dione, 6-Amino-1-methyl-5-nitropyrimidine-2,4(1H,3H)-dione, J1.037.112K
| Molecular Formula | C5H6N4O4 |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.03891 |
| Heavy Atoms | 13 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 50996-12-8 |
|---|---|
| SMILES | CN1C(=C(C(=O)NC1=O)[N+](=O)[O-])N |
| InChIKey | MIWHTOMZYBTGCT-UHFFFAOYSA-N |
Product Overview
6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione (CAS 50996-12-8), with molecular formula C5H6N4O4 and molecular weight 186.04 g/mol. IUPAC: 6-amino-1-methyl-5-nitropyrimidine-2,4-dione.
Chemical Property Profile of 6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione
Property Insights of 6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione
The XLogP value of -0.7 indicates that 6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione has 2 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 6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione?
The CAS number of 6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione is 50996-12-8.
What is the molecular formula of 6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione?
The molecular formula of 6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione is C5H6N4O4.
What is the molecular weight of 6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione?
The molecular weight of 6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione is 186.04 g/mol.
Where can I buy 6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione?
You can request a quote for 6-amino-5-(nitro)-1-methylpyrimidine-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 6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.