3-benzoyl-5-fluoro-1-propanoylpyrimidine-2,4-dione

C14H11FN2O4 — CID 12690835

IUPAC3-benzoyl-5-fluoro-1-propanoylpyrimidine-2,4-dione
SMILESCCC(=O)n1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C14H11FN2O4/c1-2-11(18)16-8-10(15)13(20)17(14(16)21)12(19)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyYFSKDMPFYIOIGB-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.89
Rot. Bonds2

About 3-benzoyl-5-fluoro-1-propanoylpyrimidine-2,4-dione

3-benzoyl-5-fluoro-1-propanoylpyrimidine-2,4-dione (PubChem CID 12690835) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 3-benzoyl-5-fluoro-1-propanoylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzoyl-5-fluoro-1-propanoylpyrimidine-2,4-dione
PubChem CID12690835
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name3-benzoyl-5-fluoro-1-propanoylpyrimidine-2,4-dione
SMILESCCC(=O)n1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C14H11FN2O4/c1-2-11(18)16-8-10(15)13(20)17(14(16)21)12(19)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyYFSKDMPFYIOIGB-UHFFFAOYSA-N
XLogP0.89
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-5-fluoro-1-propanoylpyrimidine-2,4-dione?
The IUPAC name of 3-benzoyl-5-fluoro-1-propanoylpyrimidine-2,4-dione (CID 12690835) is 3-benzoyl-5-fluoro-1-propanoylpyrimidine-2,4-dione.
What is the SMILES notation for 3-benzoyl-5-fluoro-1-propanoylpyrimidine-2,4-dione?
The canonical SMILES for 3-benzoyl-5-fluoro-1-propanoylpyrimidine-2,4-dione is CCC(=O)n1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O.
What is the InChIKey of 3-benzoyl-5-fluoro-1-propanoylpyrimidine-2,4-dione?
The InChIKey is YFSKDMPFYIOIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-2-11(18)16-8-10(15)13(20)17(14(16)21)12(19)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 3-benzoyl-5-fluoro-1-propanoylpyrimidine-2,4-dione?
3-benzoyl-5-fluoro-1-propanoylpyrimidine-2,4-dione has a molecular weight of 290.25 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-5-fluoro-1-propanoylpyrimidine-2,4-dione is sourced from PubChem (CID 12690835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).