![[2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate structure](/static/products/1700/17001-95-5.webp)
[2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate
TL;DR: [2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate (CAS 17001-95-5) is a chemical compound with molecular formula C13H21N5OS and molecular weight 295.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate
Also Known As: [2-acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate|2-Acetamido-5-isoamyl-6-methyl-4-pyrimidylisothiouronium chloride|2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl carbamimidothioate|Acetamide,N-[4-(amidinothio)-5-isopentyl-6-methyl-2-pyrimidinyl]-, monohydrochloride(8CI)
| Molecular Formula | C13H21N5OS |
|---|---|
| Molecular Weight | 295.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.14667 |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 17001-95-5 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)NC(=O)C)SC(=N)N)CCC(C)C |
| InChIKey | YMZCICJEOZSFML-UHFFFAOYSA-N |
Product Overview
[2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate (CAS 17001-95-5), with molecular formula C13H21N5OS and molecular weight 295.15 g/mol. IUPAC: [2-acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate.
Chemical Property Profile of [2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate
Property Insights of [2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate. Following Lipinski's Rule of Five, [2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate has 3 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-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate?
The CAS number of [2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate is 17001-95-5.
What is the molecular formula of [2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate?
The molecular formula of [2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate is C13H21N5OS.
What is the molecular weight of [2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate?
The molecular weight of [2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate is 295.15 g/mol.
Where can I buy [2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate?
You can request a quote for [2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for [2-Acetamido-6-methyl-5-(3-methylbutyl)pyrimidin-4-yl] carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.