2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one
TL;DR: 2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one (CAS 871093-68-4) is a chemical compound with molecular formula C9H14N6OS and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: 2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one, 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
| Molecular Formula | C9H14N6OS |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | -0.2495 |
| Topological Polar Surface Area | 111.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.09499 |
| Heavy Atoms | 17 |
| Complexity | 399.69714 |
Chemical Identifiers
| CAS Number | 871093-68-4 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NC(=NC(=N2)N)N |
Product Overview
2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one (CAS 871093-68-4), with molecular formula C9H14N6OS and molecular weight 254.09 g/mol. IUPAC: 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one
Property Insights of 2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one
The XLogP value of -0.2495 indicates that 2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one. Following Lipinski's Rule of Five, 2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one 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 2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one?
The CAS number of 2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one is 871093-68-4.
What is the molecular formula of 2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one?
The molecular formula of 2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one is C9H14N6OS.
What is the molecular weight of 2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one?
The molecular weight of 2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one is 254.09 g/mol.
Where can I buy 2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one?
You can request a quote for 2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((4,6-Diamino-1,3,5-triazin-2-yl)thio)-1-(pyrrolidin-1-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.