2-Amino-4,6-dihydroxy-5-nitrosopyrimidine
TL;DR: 2-Amino-4,6-dihydroxy-5-nitrosopyrimidine (CAS 52011-72-0) 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-4-hydroxy-5-nitroso-1H-pyrimidin-6-one
Also Known As: Abacavir Impurity 12, 2-AMINO-4,6-DIHYDROXY-5-NITROSOPYRIMIDINE, 2-Amino-5-nitroso-4,6-pyrimidinediol, 2-amino-4-hydroxy-5-nitroso-1H-pyrimidin-6-one, 2-Amino-6-hydroxy-5-nitrosopyrimidin-4(3H)-one
| Molecular Formula | C4H4N4O3 |
|---|---|
| Molecular Weight | 156.03 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.02834 |
| Heavy Atoms | 11 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 52011-72-0 |
|---|---|
| SMILES | C1(=C(N=C(NC1=O)N)O)N=O |
| InChIKey | NXTPQVKFPBRMRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-4,6-dihydroxy-5-nitrosopyrimidine (CAS 52011-72-0), with molecular formula C4H4N4O3 and molecular weight 156.03 g/mol. IUPAC: 2-amino-4-hydroxy-5-nitroso-1H-pyrimidin-6-one.
Chemical Property Profile of 2-Amino-4,6-dihydroxy-5-nitrosopyrimidine
Property Insights of 2-Amino-4,6-dihydroxy-5-nitrosopyrimidine
The XLogP value of -1.3 indicates that 2-Amino-4,6-dihydroxy-5-nitrosopyrimidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4,6-dihydroxy-5-nitrosopyrimidine. Following Lipinski's Rule of Five, 2-Amino-4,6-dihydroxy-5-nitrosopyrimidine has 3 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 2-Amino-4,6-dihydroxy-5-nitrosopyrimidine?
The CAS number of 2-Amino-4,6-dihydroxy-5-nitrosopyrimidine is 52011-72-0.
What is the molecular formula of 2-Amino-4,6-dihydroxy-5-nitrosopyrimidine?
The molecular formula of 2-Amino-4,6-dihydroxy-5-nitrosopyrimidine is C4H4N4O3.
What is the molecular weight of 2-Amino-4,6-dihydroxy-5-nitrosopyrimidine?
The molecular weight of 2-Amino-4,6-dihydroxy-5-nitrosopyrimidine is 156.03 g/mol.
Where can I buy 2-Amino-4,6-dihydroxy-5-nitrosopyrimidine?
You can request a quote for 2-Amino-4,6-dihydroxy-5-nitrosopyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4,6-dihydroxy-5-nitrosopyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4,6-dihydroxy-5-nitrosopyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.