![2-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-4-amine structure](/static/products/166/166751-74-2.png)
2-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-4-amine
TL;DR: 2-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-4-amine (CAS 166751-74-2) is a chemical compound with molecular formula C15H18ClN3S and molecular weight 307.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylphenyl)methylsulfanyl]-6-chloropyrimidin-4-amine
Also Known As: Pyrimidine analog, 2-[(4-tert-butylphenyl)methylsulfanyl]-6-chloropyrimidin-4-amine, 2-[(4-tert-butylbenzyl)sulfanyl]-6-chloropyrimidin-4-amine, 2-[(4-tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-4-amine, 6-Chloro-2-[[[4-(1,1-dimthylethyl)phenyl]methyl]thio]-4-pyrimidinamine
| Molecular Formula | C15H18ClN3S |
|---|---|
| Molecular Weight | 307.09 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.091 |
| Heavy Atoms | 20 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 166751-74-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N |
| InChIKey | QMJAZRGQAFDFIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-4-amine (CAS 166751-74-2), with molecular formula C15H18ClN3S and molecular weight 307.09 g/mol. IUPAC: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-chloropyrimidin-4-amine.
Chemical Property Profile of 2-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-4-amine
Property Insights of 2-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-4-amine
The XLogP value of 4.8 indicates that 2-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-4-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 2-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-4-amine. Following Lipinski's Rule of Five, 2-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-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-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-4-amine?
The CAS number of 2-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-4-amine is 166751-74-2.
What is the molecular formula of 2-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-4-amine?
The molecular formula of 2-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-4-amine is C15H18ClN3S.
What is the molecular weight of 2-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-4-amine?
The molecular weight of 2-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-4-amine is 307.09 g/mol.
Where can I buy 2-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-4-amine?
You can request a quote for 2-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-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-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Tert-butylphenyl)methylsulfanyl]-6-chloro-pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.