N-benzyl-6-chloro-2-(methylthio)pyrimidin-4-amine
TL;DR: N-benzyl-6-chloro-2-(methylthio)pyrimidin-4-amine (CAS 709639-84-9) is a chemical compound with molecular formula C12H12ClN3S and molecular weight 265.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine
Also Known As: N-benzyl-6-chloro-2-(methylthio)pyrimidin-4-amine, N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine, (6-chloro-2-methylthiopyrimidin-4-yl)benzylamine, N-benzyl-6-chloro-2-methylsulfanyl-pyrimidin-4-amine, 4-Pyrimidinamine, 6-chloro-2-(methylthio)-N-(phenylmethyl)-
| Molecular Formula | C12H12ClN3S |
|---|---|
| Molecular Weight | 265.04 g/mol |
| LogP | 3.464 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.04404 |
| Heavy Atoms | 17 |
| Complexity | 490.36435 |
Chemical Identifiers
| CAS Number | 709639-84-9 |
|---|---|
| SMILES | CSC1=NC(=CC(=N1)Cl)NCC2=CC=CC=C2 |
Product Overview
N-benzyl-6-chloro-2-(methylthio)pyrimidin-4-amine (CAS 709639-84-9), with molecular formula C12H12ClN3S and molecular weight 265.04 g/mol. IUPAC: N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine.
Chemical Property Profile of N-benzyl-6-chloro-2-(methylthio)pyrimidin-4-amine
Property Insights of N-benzyl-6-chloro-2-(methylthio)pyrimidin-4-amine
The XLogP value of 3.464 indicates that N-benzyl-6-chloro-2-(methylthio)pyrimidin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.81 Ų, N-benzyl-6-chloro-2-(methylthio)pyrimidin-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-6-chloro-2-(methylthio)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 N-benzyl-6-chloro-2-(methylthio)pyrimidin-4-amine?
The CAS number of N-benzyl-6-chloro-2-(methylthio)pyrimidin-4-amine is 709639-84-9.
What is the molecular formula of N-benzyl-6-chloro-2-(methylthio)pyrimidin-4-amine?
The molecular formula of N-benzyl-6-chloro-2-(methylthio)pyrimidin-4-amine is C12H12ClN3S.
What is the molecular weight of N-benzyl-6-chloro-2-(methylthio)pyrimidin-4-amine?
The molecular weight of N-benzyl-6-chloro-2-(methylthio)pyrimidin-4-amine is 265.04 g/mol.
Where can I buy N-benzyl-6-chloro-2-(methylthio)pyrimidin-4-amine?
You can request a quote for N-benzyl-6-chloro-2-(methylthio)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 N-benzyl-6-chloro-2-(methylthio)pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-6-chloro-2-(methylthio)pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.