1-[3-(4-fluorophenyl)-2-oxopropyl]pyrimidin-2-one

C13H11FN2O2 — CID 62019169

IUPAC1-[3-(4-fluorophenyl)-2-oxopropyl]pyrimidin-2-one
SMILESO=C(Cc1ccc(F)cc1)Cn1cccnc1=O
InChIInChI=1S/C13H11FN2O2/c14-11-4-2-10(3-5-11)8-12(17)9-16-7-1-6-15-13(16)18/h1-7H,8-9H2
InChIKeyUDMMETSKXYBHRU-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.19
Rot. Bonds4

About 1-[3-(4-fluorophenyl)-2-oxopropyl]pyrimidin-2-one

1-[3-(4-fluorophenyl)-2-oxopropyl]pyrimidin-2-one (PubChem CID 62019169) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-2-oxopropyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-2-oxopropyl]pyrimidin-2-one
PubChem CID62019169
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name1-[3-(4-fluorophenyl)-2-oxopropyl]pyrimidin-2-one
SMILESO=C(Cc1ccc(F)cc1)Cn1cccnc1=O
InChIInChI=1S/C13H11FN2O2/c14-11-4-2-10(3-5-11)8-12(17)9-16-7-1-6-15-13(16)18/h1-7H,8-9H2
InChIKeyUDMMETSKXYBHRU-UHFFFAOYSA-N
XLogP1.19
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-2-oxopropyl]pyrimidin-2-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-2-oxopropyl]pyrimidin-2-one (CID 62019169) is 1-[3-(4-fluorophenyl)-2-oxopropyl]pyrimidin-2-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-2-oxopropyl]pyrimidin-2-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-2-oxopropyl]pyrimidin-2-one is O=C(Cc1ccc(F)cc1)Cn1cccnc1=O.
What is the InChIKey of 1-[3-(4-fluorophenyl)-2-oxopropyl]pyrimidin-2-one?
The InChIKey is UDMMETSKXYBHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-11-4-2-10(3-5-11)8-12(17)9-16-7-1-6-15-13(16)18/h1-7H,8-9H2.
What are the key properties of 1-[3-(4-fluorophenyl)-2-oxopropyl]pyrimidin-2-one?
1-[3-(4-fluorophenyl)-2-oxopropyl]pyrimidin-2-one has a molecular weight of 246.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-2-oxopropyl]pyrimidin-2-one is sourced from PubChem (CID 62019169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).