2-Amino-6-(ethylsulfanyl)pyrimidin-4(3h)-one
TL;DR: 2-Amino-6-(ethylsulfanyl)pyrimidin-4(3h)-one (CAS 6969-82-0) 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.
2-amino-4-ethylsulfanyl-1H-pyrimidin-6-one
Also Known As: 2-amino-6-(ethylsulfanyl)pyrimidin-4(3h)-one, 2-amino-4-ethylsulfanyl-1H-pyrimidin-6-one, 2-Amino-6-(ethylthio)pyrimidin-4(1H)-one, 2-amino-6-ethylsulfanyl-3H-pyrimidin-4-one, 4(1H)-Pyrimidinone,2-amino-6-(ethylthio)-
| Molecular Formula | C6H9N3OS |
|---|---|
| Molecular Weight | 171.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.04663 |
| Heavy Atoms | 11 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 6969-82-0 |
|---|---|
| SMILES | CCSC1=CC(=O)NC(=N1)N |
| InChIKey | MQFPDBQSJIKYMT-UHFFFAOYSA-N |
Product Overview
2-Amino-6-(ethylsulfanyl)pyrimidin-4(3h)-one (CAS 6969-82-0), with molecular formula C6H9N3OS and molecular weight 171.05 g/mol. IUPAC: 2-amino-4-ethylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-Amino-6-(ethylsulfanyl)pyrimidin-4(3h)-one
Property Insights of 2-Amino-6-(ethylsulfanyl)pyrimidin-4(3h)-one
The XLogP value of -0.2 indicates that 2-Amino-6-(ethylsulfanyl)pyrimidin-4(3h)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-6-(ethylsulfanyl)pyrimidin-4(3h)-one. Following Lipinski's Rule of Five, 2-Amino-6-(ethylsulfanyl)pyrimidin-4(3h)-one has 2 hydrogen bond donor(s) and 3 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-6-(ethylsulfanyl)pyrimidin-4(3h)-one?
The CAS number of 2-Amino-6-(ethylsulfanyl)pyrimidin-4(3h)-one is 6969-82-0.
What is the molecular formula of 2-Amino-6-(ethylsulfanyl)pyrimidin-4(3h)-one?
The molecular formula of 2-Amino-6-(ethylsulfanyl)pyrimidin-4(3h)-one is C6H9N3OS.
What is the molecular weight of 2-Amino-6-(ethylsulfanyl)pyrimidin-4(3h)-one?
The molecular weight of 2-Amino-6-(ethylsulfanyl)pyrimidin-4(3h)-one is 171.05 g/mol.
Where can I buy 2-Amino-6-(ethylsulfanyl)pyrimidin-4(3h)-one?
You can request a quote for 2-Amino-6-(ethylsulfanyl)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 2-Amino-6-(ethylsulfanyl)pyrimidin-4(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-6-(ethylsulfanyl)pyrimidin-4(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.