6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one
TL;DR: 6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one (CAS 92290-01-2) is a chemical compound with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-anilino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
Also Known As: 5-anilino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one, 6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one, 5-Anilino-6-hydroxy-2-(methylsulfanyl)pyrimidin-4(3H)-one, 4(3H)-Pyrimidinone, 6-hydroxy-2-(methylthio)-5-(phenylamino)-, 6-hydroxy-2-(methylsulfanyl)-5-(phenylamino)pyrimidin-4(3h)-one
| Molecular Formula | C11H11N3O2S |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.0572 |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 92290-01-2 |
|---|---|
| SMILES | CSC1=NC(=C(C(=O)N1)NC2=CC=CC=C2)O |
| InChIKey | IYPBCAWUDGMHJD-UHFFFAOYSA-N |
Product Overview
6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one (CAS 92290-01-2), with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol. IUPAC: 5-anilino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one
Property Insights of 6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one 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 6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one?
The CAS number of 6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one is 92290-01-2.
What is the molecular formula of 6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one?
The molecular formula of 6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one is C11H11N3O2S.
What is the molecular weight of 6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one?
The molecular weight of 6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one is 249.06 g/mol.
Where can I buy 6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one?
You can request a quote for 6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Hydroxy-2-(methylthio)-5-(phenylamino)pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.