3-(2-cyclopentylethyl)-5-fluoropyrimidin-4-one

C11H15FN2O — CID 126790683

IUPAC3-(2-cyclopentylethyl)-5-fluoropyrimidin-4-one
SMILESO=c1c(F)cncn1CCC1CCCC1
InChIInChI=1S/C11H15FN2O/c12-10-7-13-8-14(11(10)15)6-5-9-3-1-2-4-9/h7-9H,1-6H2
InChIKeyFKJVNIXXSZOCJB-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.96
Rot. Bonds3

About 3-(2-cyclopentylethyl)-5-fluoropyrimidin-4-one

3-(2-cyclopentylethyl)-5-fluoropyrimidin-4-one (PubChem CID 126790683) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-(2-cyclopentylethyl)-5-fluoropyrimidin-4-one.

Molecular Properties

Compound Name3-(2-cyclopentylethyl)-5-fluoropyrimidin-4-one
PubChem CID126790683
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-(2-cyclopentylethyl)-5-fluoropyrimidin-4-one
SMILESO=c1c(F)cncn1CCC1CCCC1
InChIInChI=1S/C11H15FN2O/c12-10-7-13-8-14(11(10)15)6-5-9-3-1-2-4-9/h7-9H,1-6H2
InChIKeyFKJVNIXXSZOCJB-UHFFFAOYSA-N
XLogP1.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylethyl)-5-fluoropyrimidin-4-one?
The IUPAC name of 3-(2-cyclopentylethyl)-5-fluoropyrimidin-4-one (CID 126790683) is 3-(2-cyclopentylethyl)-5-fluoropyrimidin-4-one.
What is the SMILES notation for 3-(2-cyclopentylethyl)-5-fluoropyrimidin-4-one?
The canonical SMILES for 3-(2-cyclopentylethyl)-5-fluoropyrimidin-4-one is O=c1c(F)cncn1CCC1CCCC1.
What is the InChIKey of 3-(2-cyclopentylethyl)-5-fluoropyrimidin-4-one?
The InChIKey is FKJVNIXXSZOCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-10-7-13-8-14(11(10)15)6-5-9-3-1-2-4-9/h7-9H,1-6H2.
What are the key properties of 3-(2-cyclopentylethyl)-5-fluoropyrimidin-4-one?
3-(2-cyclopentylethyl)-5-fluoropyrimidin-4-one has a molecular weight of 210.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylethyl)-5-fluoropyrimidin-4-one is sourced from PubChem (CID 126790683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).