2-ethyl-3-(4-fluorophenyl)pyrimidin-4-one

C12H11FN2O — CID 18613749

IUPAC2-ethyl-3-(4-fluorophenyl)pyrimidin-4-one
SMILESCCc1nccc(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O/c1-2-11-14-8-7-12(16)15(11)10-5-3-9(13)4-6-10/h3-8H,2H2,1H3
InChIKeyQQPNJNTVAAFYNV-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.93
Rot. Bonds2

About 2-ethyl-3-(4-fluorophenyl)pyrimidin-4-one

2-ethyl-3-(4-fluorophenyl)pyrimidin-4-one (PubChem CID 18613749) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-ethyl-3-(4-fluorophenyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-3-(4-fluorophenyl)pyrimidin-4-one
PubChem CID18613749
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name2-ethyl-3-(4-fluorophenyl)pyrimidin-4-one
SMILESCCc1nccc(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O/c1-2-11-14-8-7-12(16)15(11)10-5-3-9(13)4-6-10/h3-8H,2H2,1H3
InChIKeyQQPNJNTVAAFYNV-UHFFFAOYSA-N
XLogP1.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-fluorophenyl)pyrimidin-4-one?
The IUPAC name of 2-ethyl-3-(4-fluorophenyl)pyrimidin-4-one (CID 18613749) is 2-ethyl-3-(4-fluorophenyl)pyrimidin-4-one.
What is the SMILES notation for 2-ethyl-3-(4-fluorophenyl)pyrimidin-4-one?
The canonical SMILES for 2-ethyl-3-(4-fluorophenyl)pyrimidin-4-one is CCc1nccc(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 2-ethyl-3-(4-fluorophenyl)pyrimidin-4-one?
The InChIKey is QQPNJNTVAAFYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-2-11-14-8-7-12(16)15(11)10-5-3-9(13)4-6-10/h3-8H,2H2,1H3.
What are the key properties of 2-ethyl-3-(4-fluorophenyl)pyrimidin-4-one?
2-ethyl-3-(4-fluorophenyl)pyrimidin-4-one has a molecular weight of 218.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-fluorophenyl)pyrimidin-4-one is sourced from PubChem (CID 18613749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).