5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione

C13H13FN2O2 — CID 175852243

IUPAC5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)n1cc(-c2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H13FN2O2/c1-8(2)16-7-11(12(17)15-13(16)18)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,17,18)
InChIKeyCEOMSVGTUUUHLU-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.92
Rot. Bonds2

About 5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione

5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione (PubChem CID 175852243) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione
PubChem CID175852243
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)n1cc(-c2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H13FN2O2/c1-8(2)16-7-11(12(17)15-13(16)18)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,17,18)
InChIKeyCEOMSVGTUUUHLU-UHFFFAOYSA-N
XLogP1.92
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione (CID 175852243) is 5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione is CC(C)n1cc(-c2ccc(F)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is CEOMSVGTUUUHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8(2)16-7-11(12(17)15-13(16)18)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,17,18).
What are the key properties of 5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione?
5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 248.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 175852243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).