5-Amino-6-(methylamino)pyrimidine-4-thiol
TL;DR: 5-Amino-6-(methylamino)pyrimidine-4-thiol (CAS 52602-72-9) is a chemical compound with molecular formula C5H8N4S and molecular weight 156.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-6-(methylamino)-1H-pyrimidine-4-thione
Also Known As: ChemDiv3_000608, 5-amino-6-(methylamino)pyrimidine-4-thiol, 5-Amino-6-(methylamino)pyrimidine-4(1H)-thione, 5-amino-6-(methylamino)-1H-pyrimidine-4-thione, 5-Amino-6-methylaminopyrimidine-4-thiol
| Molecular Formula | C5H8N4S |
|---|---|
| Molecular Weight | 156.05 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.04697 |
| Heavy Atoms | 10 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 52602-72-9 |
|---|---|
| SMILES | CNC1=C(C(=S)N=CN1)N |
| InChIKey | CSRKVKSYIGUWJE-UHFFFAOYSA-N |
Product Overview
5-Amino-6-(methylamino)pyrimidine-4-thiol (CAS 52602-72-9), with molecular formula C5H8N4S and molecular weight 156.05 g/mol. IUPAC: 5-amino-6-(methylamino)-1H-pyrimidine-4-thione.
Chemical Property Profile of 5-Amino-6-(methylamino)pyrimidine-4-thiol
Property Insights of 5-Amino-6-(methylamino)pyrimidine-4-thiol
The XLogP value of -0.4 indicates that 5-Amino-6-(methylamino)pyrimidine-4-thiol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-6-(methylamino)pyrimidine-4-thiol. Following Lipinski's Rule of Five, 5-Amino-6-(methylamino)pyrimidine-4-thiol has 3 hydrogen bond donor(s) and 3 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 5-Amino-6-(methylamino)pyrimidine-4-thiol?
The CAS number of 5-Amino-6-(methylamino)pyrimidine-4-thiol is 52602-72-9.
What is the molecular formula of 5-Amino-6-(methylamino)pyrimidine-4-thiol?
The molecular formula of 5-Amino-6-(methylamino)pyrimidine-4-thiol is C5H8N4S.
What is the molecular weight of 5-Amino-6-(methylamino)pyrimidine-4-thiol?
The molecular weight of 5-Amino-6-(methylamino)pyrimidine-4-thiol is 156.05 g/mol.
Where can I buy 5-Amino-6-(methylamino)pyrimidine-4-thiol?
You can request a quote for 5-Amino-6-(methylamino)pyrimidine-4-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-6-(methylamino)pyrimidine-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-6-(methylamino)pyrimidine-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.