6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione
TL;DR: 6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione (CAS 6972-78-7) 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.
6-amino-1-methyl-5-nitrosopyrimidine-2,4-dione
Also Known As: 6-Amino-1-methyl-5-nitrosouracil, dione, lorazepam, zlchem 838, Linagliptin Impurity 84
| Molecular Formula | C5H6N4O3 |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.04399 |
| Heavy Atoms | 12 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 6972-78-7 |
|---|---|
| SMILES | CN1C(=C(C(=O)NC1=O)N=O)N |
| InChIKey | AHOWVSJPUQTRNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione (CAS 6972-78-7), with molecular formula C5H6N4O3 and molecular weight 170.04 g/mol. IUPAC: 6-amino-1-methyl-5-nitrosopyrimidine-2,4-dione.
Chemical Property Profile of 6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione
Property Insights of 6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione
The XLogP value of -1.1 indicates that 6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione 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-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione 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-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione?
The CAS number of 6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione is 6972-78-7.
What is the molecular formula of 6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione is C5H6N4O3.
What is the molecular weight of 6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione is 170.04 g/mol.
Where can I buy 6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.