2-(((5-Methylisoxazol-3-yl)methyl)thio)pyrimidine-4,6-diamine
TL;DR: 2-(((5-Methylisoxazol-3-yl)methyl)thio)pyrimidine-4,6-diamine (CAS 1003769-00-3) is a chemical compound with molecular formula C9H11N5OS and molecular weight 237.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidine-4,6-diamine
Also Known As: 2-(((5-Methylisoxazol-3-yl)methyl)thio)pyrimidine-4,6-diamine
| Molecular Formula | C9H11N5OS |
|---|---|
| Molecular Weight | 237.07 g/mol |
| LogP | 1.22972 |
| Topological Polar Surface Area | 103.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.06844 |
| Heavy Atoms | 16 |
| Complexity | 478.14462 |
Chemical Identifiers
| CAS Number | 1003769-00-3 |
|---|---|
| SMILES | CC1=CC(=NO1)CSC2=NC(=CC(=N2)N)N |
Product Overview
2-(((5-Methylisoxazol-3-yl)methyl)thio)pyrimidine-4,6-diamine (CAS 1003769-00-3), with molecular formula C9H11N5OS and molecular weight 237.07 g/mol. IUPAC: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidine-4,6-diamine.
Chemical Property Profile of 2-(((5-Methylisoxazol-3-yl)methyl)thio)pyrimidine-4,6-diamine
Property Insights of 2-(((5-Methylisoxazol-3-yl)methyl)thio)pyrimidine-4,6-diamine
The XLogP value of 1.22972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((5-Methylisoxazol-3-yl)methyl)thio)pyrimidine-4,6-diamine. The TPSA of 103.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((5-Methylisoxazol-3-yl)methyl)thio)pyrimidine-4,6-diamine. Following Lipinski's Rule of Five, 2-(((5-Methylisoxazol-3-yl)methyl)thio)pyrimidine-4,6-diamine has 2 hydrogen bond donor(s) and 7 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-(((5-Methylisoxazol-3-yl)methyl)thio)pyrimidine-4,6-diamine?
The CAS number of 2-(((5-Methylisoxazol-3-yl)methyl)thio)pyrimidine-4,6-diamine is 1003769-00-3.
What is the molecular formula of 2-(((5-Methylisoxazol-3-yl)methyl)thio)pyrimidine-4,6-diamine?
The molecular formula of 2-(((5-Methylisoxazol-3-yl)methyl)thio)pyrimidine-4,6-diamine is C9H11N5OS.
What is the molecular weight of 2-(((5-Methylisoxazol-3-yl)methyl)thio)pyrimidine-4,6-diamine?
The molecular weight of 2-(((5-Methylisoxazol-3-yl)methyl)thio)pyrimidine-4,6-diamine is 237.07 g/mol.
Where can I buy 2-(((5-Methylisoxazol-3-yl)methyl)thio)pyrimidine-4,6-diamine?
You can request a quote for 2-(((5-Methylisoxazol-3-yl)methyl)thio)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 2-(((5-Methylisoxazol-3-yl)methyl)thio)pyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(((5-Methylisoxazol-3-yl)methyl)thio)pyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.