2-Amino-4-benzylthio-5-bromo-6-methylpyrimidine
TL;DR: 2-Amino-4-benzylthio-5-bromo-6-methylpyrimidine (CAS 99990-45-1) is a chemical compound with molecular formula C12H12BrN3S and molecular weight 308.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylsulfanyl-5-bromo-6-methylpyrimidin-2-amine
Also Known As: 2-amino-4-benzylthio-5-bromo-6-methylpyrimidine, 4-benzylsulfanyl-5-bromo-6-methylpyrimidin-2-amine, 4-(benzylsulfanyl)-5-bromo-6-methylpyrimidin-2-amine
| Molecular Formula | C12H12BrN3S |
|---|---|
| Molecular Weight | 308.99 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.99353 |
| Heavy Atoms | 17 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 99990-45-1 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)N)SCC2=CC=CC=C2)Br |
| InChIKey | AKIKDKSQRGVRHS-UHFFFAOYSA-N |
Product Overview
2-Amino-4-benzylthio-5-bromo-6-methylpyrimidine (CAS 99990-45-1), with molecular formula C12H12BrN3S and molecular weight 308.99 g/mol. IUPAC: 4-benzylsulfanyl-5-bromo-6-methylpyrimidin-2-amine.
Chemical Property Profile of 2-Amino-4-benzylthio-5-bromo-6-methylpyrimidine
Property Insights of 2-Amino-4-benzylthio-5-bromo-6-methylpyrimidine
The XLogP value of 3.3 indicates that 2-Amino-4-benzylthio-5-bromo-6-methylpyrimidine 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-Amino-4-benzylthio-5-bromo-6-methylpyrimidine. Following Lipinski's Rule of Five, 2-Amino-4-benzylthio-5-bromo-6-methylpyrimidine 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-Amino-4-benzylthio-5-bromo-6-methylpyrimidine?
The CAS number of 2-Amino-4-benzylthio-5-bromo-6-methylpyrimidine is 99990-45-1.
What is the molecular formula of 2-Amino-4-benzylthio-5-bromo-6-methylpyrimidine?
The molecular formula of 2-Amino-4-benzylthio-5-bromo-6-methylpyrimidine is C12H12BrN3S.
What is the molecular weight of 2-Amino-4-benzylthio-5-bromo-6-methylpyrimidine?
The molecular weight of 2-Amino-4-benzylthio-5-bromo-6-methylpyrimidine is 308.99 g/mol.
Where can I buy 2-Amino-4-benzylthio-5-bromo-6-methylpyrimidine?
You can request a quote for 2-Amino-4-benzylthio-5-bromo-6-methylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-benzylthio-5-bromo-6-methylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-benzylthio-5-bromo-6-methylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.