6-Benzylsulfanylpyrimidin-4-amine
TL;DR: 6-Benzylsulfanylpyrimidin-4-amine (CAS 104227-90-9) is a chemical compound with molecular formula C11H11N3S and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanylpyrimidin-4-amine
Also Known As: 6-benzylsulfanylpyrimidin-4-amine, 6-(benzylsulfanyl)pyrimidin-4-amine, 6-(benzylthio)pyrimidin-4-amine, 4-Pyrimidinamine,6-[(phenylmethyl)thio]-, 4-Pyrimidinamine, 6-[(phenylmethyl)thio]-
| Molecular Formula | C11H11N3S |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.06737 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 104227-90-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=NC(=C2)N |
| InChIKey | CVJGLBUFWQFQDV-UHFFFAOYSA-N |
Product Overview
6-Benzylsulfanylpyrimidin-4-amine (CAS 104227-90-9), with molecular formula C11H11N3S and molecular weight 217.07 g/mol. IUPAC: 6-benzylsulfanylpyrimidin-4-amine.
Chemical Property Profile of 6-Benzylsulfanylpyrimidin-4-amine
Property Insights of 6-Benzylsulfanylpyrimidin-4-amine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzylsulfanylpyrimidin-4-amine. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzylsulfanylpyrimidin-4-amine. Following Lipinski's Rule of Five, 6-Benzylsulfanylpyrimidin-4-amine 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-Benzylsulfanylpyrimidin-4-amine?
The CAS number of 6-Benzylsulfanylpyrimidin-4-amine is 104227-90-9.
What is the molecular formula of 6-Benzylsulfanylpyrimidin-4-amine?
The molecular formula of 6-Benzylsulfanylpyrimidin-4-amine is C11H11N3S.
What is the molecular weight of 6-Benzylsulfanylpyrimidin-4-amine?
The molecular weight of 6-Benzylsulfanylpyrimidin-4-amine is 217.07 g/mol.
Where can I buy 6-Benzylsulfanylpyrimidin-4-amine?
You can request a quote for 6-Benzylsulfanylpyrimidin-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-Benzylsulfanylpyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzylsulfanylpyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.