1,5-diethyl-2-[2-(4-fluorophenyl)ethyl]pyrimidin-4-one

C16H19FN2O — CID 58788214

IUPAC1,5-diethyl-2-[2-(4-fluorophenyl)ethyl]pyrimidin-4-one
SMILESCCc1cn(CC)c(CCc2ccc(F)cc2)nc1=O
InChIInChI=1S/C16H19FN2O/c1-3-13-11-19(4-2)15(18-16(13)20)10-7-12-5-8-14(17)9-6-12/h5-6,8-9,11H,3-4,7,10H2,1-2H3
InChIKeyZXHTZKQARROIFL-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.75
Rot. Bonds5

About 1,5-diethyl-2-[2-(4-fluorophenyl)ethyl]pyrimidin-4-one

1,5-diethyl-2-[2-(4-fluorophenyl)ethyl]pyrimidin-4-one (PubChem CID 58788214) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1,5-diethyl-2-[2-(4-fluorophenyl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name1,5-diethyl-2-[2-(4-fluorophenyl)ethyl]pyrimidin-4-one
PubChem CID58788214
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1,5-diethyl-2-[2-(4-fluorophenyl)ethyl]pyrimidin-4-one
SMILESCCc1cn(CC)c(CCc2ccc(F)cc2)nc1=O
InChIInChI=1S/C16H19FN2O/c1-3-13-11-19(4-2)15(18-16(13)20)10-7-12-5-8-14(17)9-6-12/h5-6,8-9,11H,3-4,7,10H2,1-2H3
InChIKeyZXHTZKQARROIFL-UHFFFAOYSA-N
XLogP2.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-2-[2-(4-fluorophenyl)ethyl]pyrimidin-4-one?
The IUPAC name of 1,5-diethyl-2-[2-(4-fluorophenyl)ethyl]pyrimidin-4-one (CID 58788214) is 1,5-diethyl-2-[2-(4-fluorophenyl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 1,5-diethyl-2-[2-(4-fluorophenyl)ethyl]pyrimidin-4-one?
The canonical SMILES for 1,5-diethyl-2-[2-(4-fluorophenyl)ethyl]pyrimidin-4-one is CCc1cn(CC)c(CCc2ccc(F)cc2)nc1=O.
What is the InChIKey of 1,5-diethyl-2-[2-(4-fluorophenyl)ethyl]pyrimidin-4-one?
The InChIKey is ZXHTZKQARROIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-13-11-19(4-2)15(18-16(13)20)10-7-12-5-8-14(17)9-6-12/h5-6,8-9,11H,3-4,7,10H2,1-2H3.
What are the key properties of 1,5-diethyl-2-[2-(4-fluorophenyl)ethyl]pyrimidin-4-one?
1,5-diethyl-2-[2-(4-fluorophenyl)ethyl]pyrimidin-4-one has a molecular weight of 274.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-2-[2-(4-fluorophenyl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 58788214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).