potassium 2-methylsulfanylpyrimidine-4-carboxylate

C6H5KN2O2S — CID 24820258

IUPACpotassium 2-methylsulfanylpyrimidine-4-carboxylate
SMILESCSc1nccc(C(=O)[O-])n1.[K+]
InChIInChI=1S/C6H6N2O2S.K/c1-11-6-7-3-2-4(8-6)5(9)10;/h2-3H,1H3,(H,9,10);/q;+1/p-1
InChIKeyJAUBOOHBQGVERW-UHFFFAOYSA-M
MW208.28 g/mol
LogP-3.43
Rot. Bonds2

About potassium 2-methylsulfanylpyrimidine-4-carboxylate

potassium 2-methylsulfanylpyrimidine-4-carboxylate (PubChem CID 24820258) has the molecular formula C6H5KN2O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is potassium 2-methylsulfanylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namepotassium 2-methylsulfanylpyrimidine-4-carboxylate
PubChem CID24820258
Molecular FormulaC6H5KN2O2S
Molecular Weight208.28 g/mol
Exact Mass207.97
IUPAC Namepotassium 2-methylsulfanylpyrimidine-4-carboxylate
SMILESCSc1nccc(C(=O)[O-])n1.[K+]
InChIInChI=1S/C6H6N2O2S.K/c1-11-6-7-3-2-4(8-6)5(9)10;/h2-3H,1H3,(H,9,10);/q;+1/p-1
InChIKeyJAUBOOHBQGVERW-UHFFFAOYSA-M
XLogP-3.43
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-3.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 2-methylsulfanylpyrimidine-4-carboxylate?
The IUPAC name of potassium 2-methylsulfanylpyrimidine-4-carboxylate (CID 24820258) is potassium 2-methylsulfanylpyrimidine-4-carboxylate.
What is the SMILES notation for potassium 2-methylsulfanylpyrimidine-4-carboxylate?
The canonical SMILES for potassium 2-methylsulfanylpyrimidine-4-carboxylate is CSc1nccc(C(=O)[O-])n1.[K+].
What is the InChIKey of potassium 2-methylsulfanylpyrimidine-4-carboxylate?
The InChIKey is JAUBOOHBQGVERW-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N2O2S.K/c1-11-6-7-3-2-4(8-6)5(9)10;/h2-3H,1H3,(H,9,10);/q;+1/p-1.
What are the key properties of potassium 2-methylsulfanylpyrimidine-4-carboxylate?
potassium 2-methylsulfanylpyrimidine-4-carboxylate has a molecular weight of 208.28 g/mol, XLogP of -3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-methylsulfanylpyrimidine-4-carboxylate is sourced from PubChem (CID 24820258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).