5-methylaminomethyl-2-thiouracil
TL;DR: 5-methylaminomethyl-2-thiouracil (CAS 21263-85-4) is a chemical compound with molecular formula C6H9N3OS and molecular weight 171.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(methylaminomethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-methylaminomethyl-2-thiouracil, 5-((Methylamino)methyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 5-(methylaminomethyl)-2-sulfanylidene-1H-pyrimidin-4-one, 4(1H)-Pyrimidinone, 2,3-dihydro-5-[(methylamino)methyl]-2-thioxo-, 5-[(Methylamino)methyl]-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
| Molecular Formula | C6H9N3OS |
|---|---|
| Molecular Weight | 171.05 g/mol |
| LogP | 0.15189 |
| Topological Polar Surface Area | 60.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.04663 |
| Heavy Atoms | 11 |
| Complexity | 340.1709 |
Chemical Identifiers
| CAS Number | 21263-85-4 |
|---|---|
| SMILES | CNCC1=CNC(=S)NC1=O |
Product Overview
5-methylaminomethyl-2-thiouracil (CAS 21263-85-4), with molecular formula C6H9N3OS and molecular weight 171.05 g/mol. IUPAC: 5-(methylaminomethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-methylaminomethyl-2-thiouracil
Property Insights of 5-methylaminomethyl-2-thiouracil
The XLogP value of 0.15189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methylaminomethyl-2-thiouracil. The TPSA of 60.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methylaminomethyl-2-thiouracil. Following Lipinski's Rule of Five, 5-methylaminomethyl-2-thiouracil 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-methylaminomethyl-2-thiouracil?
The CAS number of 5-methylaminomethyl-2-thiouracil is 21263-85-4.
What is the molecular formula of 5-methylaminomethyl-2-thiouracil?
The molecular formula of 5-methylaminomethyl-2-thiouracil is C6H9N3OS.
What is the molecular weight of 5-methylaminomethyl-2-thiouracil?
The molecular weight of 5-methylaminomethyl-2-thiouracil is 171.05 g/mol.
Where can I buy 5-methylaminomethyl-2-thiouracil?
You can request a quote for 5-methylaminomethyl-2-thiouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methylaminomethyl-2-thiouracil?
Yes, KEHONG BIO provides custom synthesis services for 5-methylaminomethyl-2-thiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.