5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione

C13H11FN2O3 — CID 55219097

IUPAC5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione
SMILESO=C(Cc1ccccc1)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C13H11FN2O3/c14-11-8-16(13(19)15-12(11)18)7-10(17)6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,18,19)
InChIKeyCRXIICXMZFWQKX-UHFFFAOYSA-N
MW262.24 g/mol
LogP0.49
Rot. Bonds4

About 5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione

5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione (PubChem CID 55219097) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione
PubChem CID55219097
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione
SMILESO=C(Cc1ccccc1)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C13H11FN2O3/c14-11-8-16(13(19)15-12(11)18)7-10(17)6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,18,19)
InChIKeyCRXIICXMZFWQKX-UHFFFAOYSA-N
XLogP0.49
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione (CID 55219097) is 5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione is O=C(Cc1ccccc1)Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione?
The InChIKey is CRXIICXMZFWQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c14-11-8-16(13(19)15-12(11)18)7-10(17)6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,18,19).
What are the key properties of 5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione?
5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione has a molecular weight of 262.24 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 55219097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).