potassium 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate

C6H4F3KN2O2 — CID 138756302

IUPACpotassium 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate
SMILESCn1c([O-])nc(C(F)(F)F)cc1=O.[K+]
InChIInChI=1S/C6H5F3N2O2.K/c1-11-4(12)2-3(6(7,8)9)10-5(11)13;/h2H,1H3,(H,10,13);/q;+1/p-1
InChIKeyCXDWCQBMPBVUJK-UHFFFAOYSA-M
MW232.20 g/mol
LogP-3.12
Rot. Bonds

About potassium 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate

potassium 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate (PubChem CID 138756302) has the molecular formula C6H4F3KN2O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is potassium 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate.

Molecular Properties

Compound Namepotassium 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate
PubChem CID138756302
Molecular FormulaC6H4F3KN2O2
Molecular Weight232.20 g/mol
Exact Mass231.99
IUPAC Namepotassium 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate
SMILESCn1c([O-])nc(C(F)(F)F)cc1=O.[K+]
InChIInChI=1S/C6H5F3N2O2.K/c1-11-4(12)2-3(6(7,8)9)10-5(11)13;/h2H,1H3,(H,10,13);/q;+1/p-1
InChIKeyCXDWCQBMPBVUJK-UHFFFAOYSA-M
XLogP-3.12
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 5-3.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze potassium 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate?
The IUPAC name of potassium 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate (CID 138756302) is potassium 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate.
What is the SMILES notation for potassium 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate?
The canonical SMILES for potassium 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate is Cn1c([O-])nc(C(F)(F)F)cc1=O.[K+].
What is the InChIKey of potassium 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate?
The InChIKey is CXDWCQBMPBVUJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5F3N2O2.K/c1-11-4(12)2-3(6(7,8)9)10-5(11)13;/h2H,1H3,(H,10,13);/q;+1/p-1.
What are the key properties of potassium 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate?
potassium 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate has a molecular weight of 232.20 g/mol, XLogP of -3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate is sourced from PubChem (CID 138756302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).