6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone
TL;DR: 6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone (CAS 98421-05-7) is a chemical compound with molecular formula C12H13N3OS and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-benzylsulfanyl-3-methylpyrimidin-4-one
Also Known As: 2-(benzylthio)-3-methyl-6-amino-4-pyrimidone, 6-amino-2-benzylsulfanyl-3-methylpyrimidin-4-one, 6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone
| Molecular Formula | C12H13N3OS |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.6548 |
| Topological Polar Surface Area | 60.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.07793 |
| Heavy Atoms | 17 |
| Complexity | 565.70856 |
Chemical Identifiers
| CAS Number | 98421-05-7 |
|---|---|
| SMILES | CN1C(=O)C=C(N=C1SCC2=CC=CC=C2)N |
Product Overview
6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone (CAS 98421-05-7), with molecular formula C12H13N3OS and molecular weight 247.08 g/mol. IUPAC: 6-amino-2-benzylsulfanyl-3-methylpyrimidin-4-one.
Chemical Property Profile of 6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone
Property Insights of 6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone
The XLogP value of 1.6548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone. The TPSA of 60.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone. Following Lipinski's Rule of Five, 6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone has 1 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 6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone?
The CAS number of 6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone is 98421-05-7.
What is the molecular formula of 6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone?
The molecular formula of 6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone is C12H13N3OS.
What is the molecular weight of 6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone?
The molecular weight of 6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone is 247.08 g/mol.
Where can I buy 6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone?
You can request a quote for 6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-2-(benzylthio)-3-methyl-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.