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

C14H13FN2O2 — CID 114217421

IUPAC1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpyrimidin-2-one
SMILESCc1ccn(CC(=O)Cc2ccc(F)cc2)c(=O)n1
InChIInChI=1S/C14H13FN2O2/c1-10-6-7-17(14(19)16-10)9-13(18)8-11-2-4-12(15)5-3-11/h2-7H,8-9H2,1H3
InChIKeyXKRDKIZWXSJMOI-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.50
Rot. Bonds4

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

1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpyrimidin-2-one (PubChem CID 114217421) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpyrimidin-2-one
PubChem CID114217421
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpyrimidin-2-one
SMILESCc1ccn(CC(=O)Cc2ccc(F)cc2)c(=O)n1
InChIInChI=1S/C14H13FN2O2/c1-10-6-7-17(14(19)16-10)9-13(18)8-11-2-4-12(15)5-3-11/h2-7H,8-9H2,1H3
InChIKeyXKRDKIZWXSJMOI-UHFFFAOYSA-N
XLogP1.50
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.50
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]-4-methylpyrimidin-2-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpyrimidin-2-one (CID 114217421) is 1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpyrimidin-2-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpyrimidin-2-one is Cc1ccn(CC(=O)Cc2ccc(F)cc2)c(=O)n1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpyrimidin-2-one?
The InChIKey is XKRDKIZWXSJMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-10-6-7-17(14(19)16-10)9-13(18)8-11-2-4-12(15)5-3-11/h2-7H,8-9H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpyrimidin-2-one?
1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpyrimidin-2-one has a molecular weight of 260.27 g/mol, XLogP of 1.50, 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]-4-methylpyrimidin-2-one is sourced from PubChem (CID 114217421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).