6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine
TL;DR: 6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine (CAS 60722-76-1) is a chemical compound with molecular formula C12H13N3OS and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-6-phenylmethoxypyrimidin-4-amine
Also Known As: 2-methylsulfanyl-6-phenylmethoxypyrimidin-4-amine, 6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine, 4-amino-6-benzyloxy-2-(methylsulfanyl)pyrimidine, 4-Pyrimidinamine, 2-(methylthio)-6-(phenylmethoxy)-
| Molecular Formula | C12H13N3OS |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.07793 |
| Heavy Atoms | 17 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 60722-76-1 |
|---|---|
| SMILES | CSC1=NC(=CC(=N1)OCC2=CC=CC=C2)N |
| InChIKey | VNOLVILJSFOKFU-UHFFFAOYSA-N |
Product Overview
6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine (CAS 60722-76-1), with molecular formula C12H13N3OS and molecular weight 247.08 g/mol. IUPAC: 2-methylsulfanyl-6-phenylmethoxypyrimidin-4-amine.
Chemical Property Profile of 6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine
Property Insights of 6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine. Following Lipinski's Rule of Five, 6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine has 1 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 6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine?
The CAS number of 6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine is 60722-76-1.
What is the molecular formula of 6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine?
The molecular formula of 6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine is C12H13N3OS.
What is the molecular weight of 6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine?
The molecular weight of 6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine is 247.08 g/mol.
Where can I buy 6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine?
You can request a quote for 6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.