6-Amino-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine
TL;DR: 6-Amino-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine (CAS 52222-45-4) is a chemical compound with molecular formula C11H11N5OS and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-nitrosopyrimidine-4,6-diamine
Also Known As: 6-amino-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine, 2-benzylsulfanyl-5-nitrosopyrimidine-4,6-diamine, 2-(benzylthio)-5-nitrosopyrimidine-4,6-diamine, 5-nitroso-2-[(phenylmethyl)thio]-4,6-pyrimidinediamine, AB-323/25048402
| Molecular Formula | C11H11N5OS |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 2.3312 |
| Topological Polar Surface Area | 107.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.06842 |
| Heavy Atoms | 18 |
| Complexity | 537.61005 |
Chemical Identifiers
| CAS Number | 52222-45-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC(=C(C(=N2)N)N=O)N |
Product Overview
6-Amino-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine (CAS 52222-45-4), with molecular formula C11H11N5OS and molecular weight 261.07 g/mol. IUPAC: 2-benzylsulfanyl-5-nitrosopyrimidine-4,6-diamine.
Chemical Property Profile of 6-Amino-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine
Property Insights of 6-Amino-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine
The XLogP value of 2.3312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine. The TPSA of 107.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine. Following Lipinski's Rule of Five, 6-Amino-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine has 2 hydrogen bond donor(s) and 7 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-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine?
The CAS number of 6-Amino-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine is 52222-45-4.
What is the molecular formula of 6-Amino-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine?
The molecular formula of 6-Amino-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine is C11H11N5OS.
What is the molecular weight of 6-Amino-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine?
The molecular weight of 6-Amino-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine is 261.07 g/mol.
Where can I buy 6-Amino-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine?
You can request a quote for 6-Amino-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-2-(benzylsulfanyl)-5-nitrosopyrimidin-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.