5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one
TL;DR: 5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one (CAS 39008-28-1) is a chemical compound with molecular formula C6H10N4OS and molecular weight 186.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-diamino-3-methyl-2-methylsulfanylpyrimidin-4-one
Also Known As: 5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one, 5,6-Diamino-3-methyl-2-methylthio-4(3H)pyrimidinone, 5,6-diamino-3-methyl-2-methylsulfanylpyrimidin-4-one, 5,6-diamino-3-methyl-2-methylsulfanyl-pyrimidin-4-one, J1.115.738F
| Molecular Formula | C6H10N4OS |
|---|---|
| Molecular Weight | 186.06 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.05753 |
| Heavy Atoms | 12 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 39008-28-1 |
|---|---|
| SMILES | CN1C(=O)C(=C(N=C1SC)N)N |
| InChIKey | DKIXTKJRMXEYST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one (CAS 39008-28-1), with molecular formula C6H10N4OS and molecular weight 186.06 g/mol. IUPAC: 5,6-diamino-3-methyl-2-methylsulfanylpyrimidin-4-one.
Chemical Property Profile of 5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one
Property Insights of 5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one
The XLogP value of -0.5 indicates that 5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one has 2 hydrogen bond donor(s) and 5 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 5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one?
The CAS number of 5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one is 39008-28-1.
What is the molecular formula of 5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one?
The molecular formula of 5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one is C6H10N4OS.
What is the molecular weight of 5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one?
The molecular weight of 5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one is 186.06 g/mol.
Where can I buy 5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one?
You can request a quote for 5,6-Diamino-3-methyl-2-(methylthio)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 5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.