2-Benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-4-amine
TL;DR: 2-Benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-4-amine (CAS 214417-52-4) is a chemical compound with molecular formula C15H18N4S and molecular weight 286.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine
Also Known As: Pyrimidine thioether der., 2-benzylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine, 2-[(Phenylmethyl)thio]-6-pyrrolidino-4-pyrimdinamine, 2-benzylsulfanyl-4-amino-6-pyrrolidin-1-ylpyrimidine, 2-benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-4-amine
| Molecular Formula | C15H18N4S |
|---|---|
| Molecular Weight | 286.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.1252 |
| Heavy Atoms | 20 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 214417-52-4 |
|---|---|
| SMILES | C1CCN(C1)C2=NC(=NC(=C2)N)SCC3=CC=CC=C3 |
| InChIKey | BNAMAIQWQDJFPS-UHFFFAOYSA-N |
Product Overview
2-Benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-4-amine (CAS 214417-52-4), with molecular formula C15H18N4S and molecular weight 286.13 g/mol. IUPAC: 2-benzylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine.
Chemical Property Profile of 2-Benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-4-amine
Property Insights of 2-Benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-4-amine
The XLogP value of 3.1 indicates that 2-Benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-4-amine. Following Lipinski's Rule of Five, 2-Benzylsulfanyl-6-pyrrolidin-1-yl-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 2-Benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-4-amine?
The CAS number of 2-Benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-4-amine is 214417-52-4.
What is the molecular formula of 2-Benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-4-amine?
The molecular formula of 2-Benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-4-amine is C15H18N4S.
What is the molecular weight of 2-Benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-4-amine?
The molecular weight of 2-Benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-4-amine is 286.13 g/mol.
Where can I buy 2-Benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-4-amine?
You can request a quote for 2-Benzylsulfanyl-6-pyrrolidin-1-yl-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 2-Benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.