1-[2-(3-fluorophenyl)-2-oxoethyl]pyrimidin-2-one

C12H9FN2O2 — CID 62017509

IUPAC1-[2-(3-fluorophenyl)-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)c1cccc(F)c1
InChIInChI=1S/C12H9FN2O2/c13-10-4-1-3-9(7-10)11(16)8-15-6-2-5-14-12(15)17/h1-7H,8H2
InChIKeyFUDHUULULHGIOO-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.27
Rot. Bonds3

About 1-[2-(3-fluorophenyl)-2-oxoethyl]pyrimidin-2-one

1-[2-(3-fluorophenyl)-2-oxoethyl]pyrimidin-2-one (PubChem CID 62017509) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-2-oxoethyl]pyrimidin-2-one
PubChem CID62017509
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name1-[2-(3-fluorophenyl)-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)c1cccc(F)c1
InChIInChI=1S/C12H9FN2O2/c13-10-4-1-3-9(7-10)11(16)8-15-6-2-5-14-12(15)17/h1-7H,8H2
InChIKeyFUDHUULULHGIOO-UHFFFAOYSA-N
XLogP1.27
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(3-fluorophenyl)-2-oxoethyl]pyrimidin-2-one (CID 62017509) is 1-[2-(3-fluorophenyl)-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)-2-oxoethyl]pyrimidin-2-one is O=C(Cn1cccnc1=O)c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-2-oxoethyl]pyrimidin-2-one?
The InChIKey is FUDHUULULHGIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-10-4-1-3-9(7-10)11(16)8-15-6-2-5-14-12(15)17/h1-7H,8H2.
What are the key properties of 1-[2-(3-fluorophenyl)-2-oxoethyl]pyrimidin-2-one?
1-[2-(3-fluorophenyl)-2-oxoethyl]pyrimidin-2-one has a molecular weight of 232.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 62017509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).