methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1)
TL;DR: methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1) (CAS 37481-40-6) is a chemical compound with molecular formula C11H17IN4O2S and molecular weight 396.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N'-prop-2-enylcarbamimidothioate;hydroiodide
Also Known As: methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1), Methyl N-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N'-prop-2-en-1-ylcarbamimidothioate--hydrogen iodide (1/1), Pseudourea, 3-allyl-2-methyl-1-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-thio-, monohydriodide, Methyl N-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N'-(prop-2-en-1-yl)carbamimidothioate--hydrogen iodide (1/1), methyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N'-prop-2-enylcarbamimidothioate hydroiodide
| Molecular Formula | C11H17IN4O2S |
|---|---|
| Molecular Weight | 396.01 g/mol |
| LogP | 1.0189 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.0117 |
| Heavy Atoms | 19 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 37481-40-6 |
|---|---|
| SMILES | CN1C=C(C(=O)N(C1=O)C)NC(=NCC=C)SC.I |
| InChIKey | WYQLRRLFAMHJQN-UHFFFAOYSA-N |
Product Overview
methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1) (CAS 37481-40-6), with molecular formula C11H17IN4O2S and molecular weight 396.01 g/mol. IUPAC: methyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N'-prop-2-enylcarbamimidothioate;hydroiodide.
Chemical Property Profile of methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1)
Property Insights of methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1)
The XLogP value of 1.0189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1). The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1). Following Lipinski's Rule of Five, methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1) has 2 hydrogen bond donor(s) and 4 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 methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1)?
The CAS number of methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1) is 37481-40-6.
What is the molecular formula of methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1)?
The molecular formula of methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1) is C11H17IN4O2S.
What is the molecular weight of methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1)?
The molecular weight of methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1) is 396.01 g/mol.
Where can I buy methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1)?
You can request a quote for methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1)?
Yes, KEHONG BIO provides custom synthesis services for methyl n-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n'-prop-2-en-1-ylcarbamimidothioate hydroiodide(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.