2-(Benzylthio)-4,6-pyrimidinediamine
TL;DR: 2-(Benzylthio)-4,6-pyrimidinediamine (CAS 84890-62-0) is a chemical compound with molecular formula C11H12N4S and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanylpyrimidine-4,6-diamine
Also Known As: 2-(benzylthio)-4,6-pyrimidinediamine, 2-(benzylthio)pyrimidine-4,6-diamine, 2-benzylsulfanylpyrimidine-4,6-diamine, TimTec1_003646, BAS 02071511
| Molecular Formula | C11H12N4S |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.07826 |
| Heavy Atoms | 16 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 84890-62-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC(=CC(=N2)N)N |
| InChIKey | DAZJCNWHHPUGCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Benzylthio)-4,6-pyrimidinediamine (CAS 84890-62-0), with molecular formula C11H12N4S and molecular weight 232.08 g/mol. IUPAC: 2-benzylsulfanylpyrimidine-4,6-diamine.
Chemical Property Profile of 2-(Benzylthio)-4,6-pyrimidinediamine
Property Insights of 2-(Benzylthio)-4,6-pyrimidinediamine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylthio)-4,6-pyrimidinediamine. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylthio)-4,6-pyrimidinediamine. Following Lipinski's Rule of Five, 2-(Benzylthio)-4,6-pyrimidinediamine 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 2-(Benzylthio)-4,6-pyrimidinediamine?
The CAS number of 2-(Benzylthio)-4,6-pyrimidinediamine is 84890-62-0.
What is the molecular formula of 2-(Benzylthio)-4,6-pyrimidinediamine?
The molecular formula of 2-(Benzylthio)-4,6-pyrimidinediamine is C11H12N4S.
What is the molecular weight of 2-(Benzylthio)-4,6-pyrimidinediamine?
The molecular weight of 2-(Benzylthio)-4,6-pyrimidinediamine is 232.08 g/mol.
Where can I buy 2-(Benzylthio)-4,6-pyrimidinediamine?
You can request a quote for 2-(Benzylthio)-4,6-pyrimidinediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylthio)-4,6-pyrimidinediamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylthio)-4,6-pyrimidinediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.