4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2-amine
TL;DR: 4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2-amine (CAS 6960-47-0) is a chemical compound with molecular formula C12H13N3S2 and molecular weight 263.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-bis(methylsulfanyl)-5-phenylpyrimidin-2-amine
Also Known As: 4,6-bis-methylsulfanyl-5-phenyl-pyrimidin-2-ylamine, 4,6-bis(methylsulfanyl)-5-phenylpyrimidin-2-amine, 2-Pyrimidinamine,4,6-bis(methylthio)-5-phenyl-, 4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2(1H)-imine
| Molecular Formula | C12H13N3S2 |
|---|---|
| Molecular Weight | 263.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.05508 |
| Heavy Atoms | 17 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 6960-47-0 |
|---|---|
| SMILES | CSC1=C(C(=NC(=N1)N)SC)C2=CC=CC=C2 |
| InChIKey | FCAZHFPWQPCRTR-UHFFFAOYSA-N |
Product Overview
4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2-amine (CAS 6960-47-0), with molecular formula C12H13N3S2 and molecular weight 263.06 g/mol. IUPAC: 4,6-bis(methylsulfanyl)-5-phenylpyrimidin-2-amine.
Chemical Property Profile of 4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2-amine
Property Insights of 4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2-amine
The XLogP value of 3.2 indicates that 4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2-amine. Following Lipinski's Rule of Five, 4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2-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 4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2-amine?
The CAS number of 4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2-amine is 6960-47-0.
What is the molecular formula of 4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2-amine?
The molecular formula of 4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2-amine is C12H13N3S2.
What is the molecular weight of 4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2-amine?
The molecular weight of 4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2-amine is 263.06 g/mol.
Where can I buy 4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2-amine?
You can request a quote for 4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Bis(methylsulfanyl)-5-phenylpyrimidin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.