3-methyl-6-(methylamino)-2-(methylthio)pyrimidin-4(3H)-one
TL;DR: 3-methyl-6-(methylamino)-2-(methylthio)pyrimidin-4(3H)-one (CAS 887570-12-9) is a chemical compound with molecular formula C7H11N3OS and molecular weight 185.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-(methylamino)-2-methylsulfanylpyrimidin-4-one
Also Known As: AB-323/25048051, 3-methyl-6-(methylamino)-2-(methylthio)pyrimidin-4(3H)-one, 3-methyl-6-(methylamino)-2-(methylsulfanyl)pyrimidin-4(3H)-one, 3-methyl-6-(methylamino)-2-methylsulfanylpyrimidin-4-one, 3-Methyl-6-(methylamino)-2-(methylthio)-4(3H)-pyrimidinone
| Molecular Formula | C7H11N3OS |
|---|---|
| Molecular Weight | 185.06 g/mol |
| LogP | 0.5439 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.06229 |
| Heavy Atoms | 12 |
| Complexity | 333.91364 |
Chemical Identifiers
| CAS Number | 887570-12-9 |
|---|---|
| SMILES | CNC1=CC(=O)N(C(=N1)SC)C |
Product Overview
3-methyl-6-(methylamino)-2-(methylthio)pyrimidin-4(3H)-one (CAS 887570-12-9), with molecular formula C7H11N3OS and molecular weight 185.06 g/mol. IUPAC: 3-methyl-6-(methylamino)-2-methylsulfanylpyrimidin-4-one.
Chemical Property Profile of 3-methyl-6-(methylamino)-2-(methylthio)pyrimidin-4(3H)-one
Property Insights of 3-methyl-6-(methylamino)-2-(methylthio)pyrimidin-4(3H)-one
The XLogP value of 0.5439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-6-(methylamino)-2-(methylthio)pyrimidin-4(3H)-one. With a topological polar surface area (TPSA) of 46.92 Ų, 3-methyl-6-(methylamino)-2-(methylthio)pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-6-(methylamino)-2-(methylthio)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 3-methyl-6-(methylamino)-2-(methylthio)pyrimidin-4(3H)-one?
The CAS number of 3-methyl-6-(methylamino)-2-(methylthio)pyrimidin-4(3H)-one is 887570-12-9.
What is the molecular formula of 3-methyl-6-(methylamino)-2-(methylthio)pyrimidin-4(3H)-one?
The molecular formula of 3-methyl-6-(methylamino)-2-(methylthio)pyrimidin-4(3H)-one is C7H11N3OS.
What is the molecular weight of 3-methyl-6-(methylamino)-2-(methylthio)pyrimidin-4(3H)-one?
The molecular weight of 3-methyl-6-(methylamino)-2-(methylthio)pyrimidin-4(3H)-one is 185.06 g/mol.
Where can I buy 3-methyl-6-(methylamino)-2-(methylthio)pyrimidin-4(3H)-one?
You can request a quote for 3-methyl-6-(methylamino)-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 3-methyl-6-(methylamino)-2-(methylthio)pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-6-(methylamino)-2-(methylthio)pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.