5-Nitroso-4,6-pyrimidinediamine
TL;DR: 5-Nitroso-4,6-pyrimidinediamine (CAS 56472-03-8) is a chemical compound with molecular formula C4H5N5O and molecular weight 139.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitrosopyrimidine-4,6-diamine
Also Known As: 5-nitrosopyrimidine-4,6-diamine, 4,6-Pyrimidinediamine, 5-nitroso-, 4, 5-nitroso-, 4,6-diamino-5-nitrosopyrimidine, 5-Nitroso-4,6-pyrimidinediamine
| Molecular Formula | C4H5N5O |
|---|---|
| Molecular Weight | 139.05 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.04941 |
| Heavy Atoms | 10 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 56472-03-8 |
|---|---|
| SMILES | C1=NC(=C(C(=N1)N)N=O)N |
| InChIKey | XOUCPTSENBHIRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitroso-4,6-pyrimidinediamine (CAS 56472-03-8), with molecular formula C4H5N5O and molecular weight 139.05 g/mol. IUPAC: 5-nitrosopyrimidine-4,6-diamine.
Chemical Property Profile of 5-Nitroso-4,6-pyrimidinediamine
Property Insights of 5-Nitroso-4,6-pyrimidinediamine
The XLogP value of -0.6 indicates that 5-Nitroso-4,6-pyrimidinediamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitroso-4,6-pyrimidinediamine. Following Lipinski's Rule of Five, 5-Nitroso-4,6-pyrimidinediamine has 2 hydrogen bond donor(s) and 6 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 5-Nitroso-4,6-pyrimidinediamine?
The CAS number of 5-Nitroso-4,6-pyrimidinediamine is 56472-03-8.
What is the molecular formula of 5-Nitroso-4,6-pyrimidinediamine?
The molecular formula of 5-Nitroso-4,6-pyrimidinediamine is C4H5N5O.
What is the molecular weight of 5-Nitroso-4,6-pyrimidinediamine?
The molecular weight of 5-Nitroso-4,6-pyrimidinediamine is 139.05 g/mol.
Where can I buy 5-Nitroso-4,6-pyrimidinediamine?
You can request a quote for 5-Nitroso-4,6-pyrimidinediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitroso-4,6-pyrimidinediamine?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitroso-4,6-pyrimidinediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.