![5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-amine structure](/static/products/6154/61541-68-2.webp)
5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-amine
TL;DR: 5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-amine (CAS 61541-68-2) is a chemical compound with molecular formula C18H17N3S and molecular weight 307.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzylsulfanylmethyl)-4-phenylpyrimidin-2-amine
Also Known As: 5-(benzylsulfanylmethyl)-4-phenylpyrimidin-2-amine, 5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-amine
| Molecular Formula | C18H17N3S |
|---|---|
| Molecular Weight | 307.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.11432 |
| Heavy Atoms | 22 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 61541-68-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC2=CN=C(N=C2C3=CC=CC=C3)N |
| InChIKey | RRNPBZRZLAWKHR-UHFFFAOYSA-N |
Product Overview
5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-amine (CAS 61541-68-2), with molecular formula C18H17N3S and molecular weight 307.11 g/mol. IUPAC: 5-(benzylsulfanylmethyl)-4-phenylpyrimidin-2-amine.
Chemical Property Profile of 5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-amine
Property Insights of 5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-amine
The XLogP value of 3.5 indicates that 5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-amine. Following Lipinski's Rule of Five, 5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-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 5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-amine?
The CAS number of 5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-amine is 61541-68-2.
What is the molecular formula of 5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-amine?
The molecular formula of 5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-amine is C18H17N3S.
What is the molecular weight of 5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-amine?
The molecular weight of 5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-amine is 307.11 g/mol.
Where can I buy 5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-amine?
You can request a quote for 5-[(Benzylsulfanyl)methyl]-4-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 5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Benzylsulfanyl)methyl]-4-phenylpyrimidin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.