N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine
TL;DR: N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine (CAS 60722-63-6) is a chemical compound with molecular formula C12H14N4S and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-benzyl-2-methylsulfanylpyrimidine-4,6-diamine
Also Known As: 4-N-benzyl-2-methylsulfanylpyrimidine-4,6-diamine, J1.224.019H, N-Benzyl-2-(methylthio)pyrimidine-4,6-diamine, N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine, 2-(Methylthio)-6-(benzylamino)pyrimidine-4-amine
| Molecular Formula | C12H14N4S |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.09392 |
| Heavy Atoms | 17 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 60722-63-6 |
|---|---|
| SMILES | CSC1=NC(=CC(=N1)NCC2=CC=CC=C2)N |
| InChIKey | QJXQRYOGPKRWFW-UHFFFAOYSA-N |
Product Overview
N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine (CAS 60722-63-6), with molecular formula C12H14N4S and molecular weight 246.09 g/mol. IUPAC: 4-N-benzyl-2-methylsulfanylpyrimidine-4,6-diamine.
Chemical Property Profile of N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine
Property Insights of N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine. Following Lipinski's Rule of Five, N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine has 2 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 N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine?
The CAS number of N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine is 60722-63-6.
What is the molecular formula of N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine?
The molecular formula of N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine is C12H14N4S.
What is the molecular weight of N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine?
The molecular weight of N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine is 246.09 g/mol.
Where can I buy N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine?
You can request a quote for N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.