4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine
TL;DR: 4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine (CAS 313231-56-0) is a chemical compound with molecular formula C12H19N3S and molecular weight 237.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine
Also Known As: 4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine, ChemDiv2_003196, BAS 01052433, 4,6-Dimethyl-2-((2-(pyrrolidin-1-yl)ethyl)thio)pyrimidine, 4,6-DIMETHYL-2-(2-(PYRROLIDIN-1-YL)ETHYLTHIO)PYRIMIDINE
| Molecular Formula | C12H19N3S |
|---|---|
| Molecular Weight | 237.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.12997 |
| Heavy Atoms | 16 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 313231-56-0 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCCN2CCCC2)C |
| InChIKey | ULPLKVKNJUNHHI-UHFFFAOYSA-N |
Product Overview
4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine (CAS 313231-56-0), with molecular formula C12H19N3S and molecular weight 237.13 g/mol. IUPAC: 4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine.
Chemical Property Profile of 4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine
Property Insights of 4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine. With a topological polar surface area (TPSA) of 54.3 Ų, 4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine has 0 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 4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine?
The CAS number of 4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine is 313231-56-0.
What is the molecular formula of 4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine?
The molecular formula of 4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine is C12H19N3S.
What is the molecular weight of 4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine?
The molecular weight of 4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine is 237.13 g/mol.
Where can I buy 4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine?
You can request a quote for 4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.