potassium 1-(4-fluorophenyl)-2-methylsulfanyl-6-oxopyrimidin-4-olate

C11H8FKN2O2S — CID 23704117

IUPACpotassium 1-(4-fluorophenyl)-2-methylsulfanyl-6-oxopyrimidin-4-olate
SMILESCSc1nc([O-])cc(=O)n1-c1ccc(F)cc1.[K+]
InChIInChI=1S/C11H9FN2O2S.K/c1-17-11-13-9(15)6-10(16)14(11)8-4-2-7(12)3-5-8;/h2-6,15H,1H3;/q;+1/p-1
InChIKeyAQYWQKHKMSEMMU-UHFFFAOYSA-M
MW290.36 g/mol
LogP-1.83
Rot. Bonds2

About potassium 1-(4-fluorophenyl)-2-methylsulfanyl-6-oxopyrimidin-4-olate

potassium 1-(4-fluorophenyl)-2-methylsulfanyl-6-oxopyrimidin-4-olate (PubChem CID 23704117) has the molecular formula C11H8FKN2O2S and a molecular weight of 290.36 g/mol. Its IUPAC name is potassium 1-(4-fluorophenyl)-2-methylsulfanyl-6-oxopyrimidin-4-olate.

Molecular Properties

Compound Namepotassium 1-(4-fluorophenyl)-2-methylsulfanyl-6-oxopyrimidin-4-olate
PubChem CID23704117
Molecular FormulaC11H8FKN2O2S
Molecular Weight290.36 g/mol
Exact Mass289.99
IUPAC Namepotassium 1-(4-fluorophenyl)-2-methylsulfanyl-6-oxopyrimidin-4-olate
SMILESCSc1nc([O-])cc(=O)n1-c1ccc(F)cc1.[K+]
InChIInChI=1S/C11H9FN2O2S.K/c1-17-11-13-9(15)6-10(16)14(11)8-4-2-7(12)3-5-8;/h2-6,15H,1H3;/q;+1/p-1
InChIKeyAQYWQKHKMSEMMU-UHFFFAOYSA-M
XLogP-1.83
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-1.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 1-(4-fluorophenyl)-2-methylsulfanyl-6-oxopyrimidin-4-olate?
The IUPAC name of potassium 1-(4-fluorophenyl)-2-methylsulfanyl-6-oxopyrimidin-4-olate (CID 23704117) is potassium 1-(4-fluorophenyl)-2-methylsulfanyl-6-oxopyrimidin-4-olate.
What is the SMILES notation for potassium 1-(4-fluorophenyl)-2-methylsulfanyl-6-oxopyrimidin-4-olate?
The canonical SMILES for potassium 1-(4-fluorophenyl)-2-methylsulfanyl-6-oxopyrimidin-4-olate is CSc1nc([O-])cc(=O)n1-c1ccc(F)cc1.[K+].
What is the InChIKey of potassium 1-(4-fluorophenyl)-2-methylsulfanyl-6-oxopyrimidin-4-olate?
The InChIKey is AQYWQKHKMSEMMU-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9FN2O2S.K/c1-17-11-13-9(15)6-10(16)14(11)8-4-2-7(12)3-5-8;/h2-6,15H,1H3;/q;+1/p-1.
What are the key properties of potassium 1-(4-fluorophenyl)-2-methylsulfanyl-6-oxopyrimidin-4-olate?
potassium 1-(4-fluorophenyl)-2-methylsulfanyl-6-oxopyrimidin-4-olate has a molecular weight of 290.36 g/mol, XLogP of -1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-(4-fluorophenyl)-2-methylsulfanyl-6-oxopyrimidin-4-olate is sourced from PubChem (CID 23704117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).