2-(Benzylsulfanyl)-6-methylpyrimidin-4-amine
TL;DR: 2-(Benzylsulfanyl)-6-methylpyrimidin-4-amine (CAS 214417-53-5) is a chemical compound with molecular formula C12H13N3S and molecular weight 231.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-6-methylpyrimidin-4-amine
Also Known As: Pyrimidine thioether der., 2-(benzylsulfanyl)-6-methylpyrimidin-4-amine, 2-(benzylthio)-6-methyl-4-pyrimidinamine, 2-(Benzylthio)-6-methylpyrimidin-4-amine, 2-benzylsulfanyl-6-methylpyrimidin-4-amine
| Molecular Formula | C12H13N3S |
|---|---|
| Molecular Weight | 231.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.08302 |
| Heavy Atoms | 16 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 214417-53-5 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=CC=CC=C2)N |
| InChIKey | UNIQGWYGYQXIEY-UHFFFAOYSA-N |
Product Overview
2-(Benzylsulfanyl)-6-methylpyrimidin-4-amine (CAS 214417-53-5), with molecular formula C12H13N3S and molecular weight 231.08 g/mol. IUPAC: 2-benzylsulfanyl-6-methylpyrimidin-4-amine.
Chemical Property Profile of 2-(Benzylsulfanyl)-6-methylpyrimidin-4-amine
Property Insights of 2-(Benzylsulfanyl)-6-methylpyrimidin-4-amine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylsulfanyl)-6-methylpyrimidin-4-amine. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylsulfanyl)-6-methylpyrimidin-4-amine. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-6-methylpyrimidin-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 2-(Benzylsulfanyl)-6-methylpyrimidin-4-amine?
The CAS number of 2-(Benzylsulfanyl)-6-methylpyrimidin-4-amine is 214417-53-5.
What is the molecular formula of 2-(Benzylsulfanyl)-6-methylpyrimidin-4-amine?
The molecular formula of 2-(Benzylsulfanyl)-6-methylpyrimidin-4-amine is C12H13N3S.
What is the molecular weight of 2-(Benzylsulfanyl)-6-methylpyrimidin-4-amine?
The molecular weight of 2-(Benzylsulfanyl)-6-methylpyrimidin-4-amine is 231.08 g/mol.
Where can I buy 2-(Benzylsulfanyl)-6-methylpyrimidin-4-amine?
You can request a quote for 2-(Benzylsulfanyl)-6-methylpyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanyl)-6-methylpyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-6-methylpyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.