6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one
TL;DR: 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one (CAS 61531-76-8) is a chemical compound with molecular formula C6H9N3OS and molecular weight 171.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-methyl-2-methylsulfanylpyrimidin-4-one
Also Known As: 6-Amino-2-methylthio-3-methyluracil, 6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one, Methyl D-Glucuronate, 6-amino-3-methyl-2-methylsulfanylpyrimidin-4-one, 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one
| Molecular Formula | C6H9N3OS |
|---|---|
| Molecular Weight | 171.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.04663 |
| Heavy Atoms | 11 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 61531-76-8 |
|---|---|
| SMILES | CN1C(=O)C=C(N=C1SC)N |
| InChIKey | LYWPZKCXMFJSGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one (CAS 61531-76-8), with molecular formula C6H9N3OS and molecular weight 171.05 g/mol. IUPAC: 6-amino-3-methyl-2-methylsulfanylpyrimidin-4-one.
Chemical Property Profile of 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one
Property Insights of 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one
The XLogP value of -0.1 indicates that 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one has 1 hydrogen bond donor(s) and 4 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-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one?
The CAS number of 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one is 61531-76-8.
What is the molecular formula of 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one?
The molecular formula of 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one is C6H9N3OS.
What is the molecular weight of 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one?
The molecular weight of 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one is 171.05 g/mol.
Where can I buy 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one?
You can request a quote for 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.