3-[3-(4-fluorophenyl)-3-oxopropyl]-2-methoxy-6-methylpyrimidin-4-one

C15H15FN2O3 — CID 79370476

IUPAC3-[3-(4-fluorophenyl)-3-oxopropyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O3/c1-10-9-14(20)18(15(17-10)21-2)8-7-13(19)11-3-5-12(16)6-4-11/h3-6,9H,7-8H2,1-2H3
InChIKeyTWMLYBAMCDNUAO-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.97
Rot. Bonds5

About 3-[3-(4-fluorophenyl)-3-oxopropyl]-2-methoxy-6-methylpyrimidin-4-one

3-[3-(4-fluorophenyl)-3-oxopropyl]-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 79370476) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-3-oxopropyl]-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-3-oxopropyl]-2-methoxy-6-methylpyrimidin-4-one
PubChem CID79370476
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-[3-(4-fluorophenyl)-3-oxopropyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O3/c1-10-9-14(20)18(15(17-10)21-2)8-7-13(19)11-3-5-12(16)6-4-11/h3-6,9H,7-8H2,1-2H3
InChIKeyTWMLYBAMCDNUAO-UHFFFAOYSA-N
XLogP1.97
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-3-oxopropyl]-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-[3-(4-fluorophenyl)-3-oxopropyl]-2-methoxy-6-methylpyrimidin-4-one (CID 79370476) is 3-[3-(4-fluorophenyl)-3-oxopropyl]-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-3-oxopropyl]-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[3-(4-fluorophenyl)-3-oxopropyl]-2-methoxy-6-methylpyrimidin-4-one is COc1nc(C)cc(=O)n1CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-3-oxopropyl]-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is TWMLYBAMCDNUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-10-9-14(20)18(15(17-10)21-2)8-7-13(19)11-3-5-12(16)6-4-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3-[3-(4-fluorophenyl)-3-oxopropyl]-2-methoxy-6-methylpyrimidin-4-one?
3-[3-(4-fluorophenyl)-3-oxopropyl]-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 290.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-3-oxopropyl]-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 79370476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).