potassium 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide

C9H11BF3KN2O — CID 106746309

IUPACpotassium 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(Cn1c(C)cc(C)nc1=O)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H11BF3N2O.K/c1-6(10(11,12)13)5-15-8(3)4-7(2)14-9(15)16;/h4H,1,5H2,2-3H3;/q-1;+1
InChIKeyJONACWANUIVTMW-UHFFFAOYSA-N
MW270.10 g/mol
LogP-1.19
Rot. Bonds3

About potassium 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide

potassium 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106746309) has the molecular formula C9H11BF3KN2O and a molecular weight of 270.10 g/mol. Its IUPAC name is potassium 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide
PubChem CID106746309
Molecular FormulaC9H11BF3KN2O
Molecular Weight270.10 g/mol
Exact Mass270.06
IUPAC Namepotassium 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(Cn1c(C)cc(C)nc1=O)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H11BF3N2O.K/c1-6(10(11,12)13)5-15-8(3)4-7(2)14-9(15)16;/h4H,1,5H2,2-3H3;/q-1;+1
InChIKeyJONACWANUIVTMW-UHFFFAOYSA-N
XLogP-1.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 5-1.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of potassium 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide (CID 106746309) is potassium 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for potassium 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for potassium 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide is C=C(Cn1c(C)cc(C)nc1=O)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is JONACWANUIVTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BF3N2O.K/c1-6(10(11,12)13)5-15-8(3)4-7(2)14-9(15)16;/h4H,1,5H2,2-3H3;/q-1;+1.
What are the key properties of potassium 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide?
potassium 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 270.10 g/mol, XLogP of -1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106746309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).