1-acetyl-3-benzoyl-5-fluoropyrimidine-2,4-dione

C13H9FN2O4 — CID 12690833

IUPAC1-acetyl-3-benzoyl-5-fluoropyrimidine-2,4-dione
SMILESCC(=O)n1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C13H9FN2O4/c1-8(17)15-7-10(14)12(19)16(13(15)20)11(18)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyYKFSEZBIYCJJGB-UHFFFAOYSA-N
MW276.22 g/mol
LogP0.50
Rot. Bonds1

About 1-acetyl-3-benzoyl-5-fluoropyrimidine-2,4-dione

1-acetyl-3-benzoyl-5-fluoropyrimidine-2,4-dione (PubChem CID 12690833) has the molecular formula C13H9FN2O4 and a molecular weight of 276.22 g/mol. Its IUPAC name is 1-acetyl-3-benzoyl-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-acetyl-3-benzoyl-5-fluoropyrimidine-2,4-dione
PubChem CID12690833
Molecular FormulaC13H9FN2O4
Molecular Weight276.22 g/mol
Exact Mass276.05
IUPAC Name1-acetyl-3-benzoyl-5-fluoropyrimidine-2,4-dione
SMILESCC(=O)n1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C13H9FN2O4/c1-8(17)15-7-10(14)12(19)16(13(15)20)11(18)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyYKFSEZBIYCJJGB-UHFFFAOYSA-N
XLogP0.50
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-Diethylbenzamide
CID 15542
N-benzoyl-1-piperidinecarboxamide
CID 974065
1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione
CID 237953
1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione
CID 126342
N-(3-(((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)amino)-3-oxopropyl)benzamide
CID 8070201
N-benzoyl-2-ethyl-1-piperidinecarboxamide
CID 2951994
N~1~-benzoyl-1,4-piperidinedicarboxamide
CID 2990374
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-fluorobenzamide
CID 4791039
5-[(2-fluorophenyl)(hydroxy)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 911496
3-benzoyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71655043
Stk360411
CID 839436
3-Benzoyluracil
CID 569513

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-benzoyl-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-acetyl-3-benzoyl-5-fluoropyrimidine-2,4-dione (CID 12690833) is 1-acetyl-3-benzoyl-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-acetyl-3-benzoyl-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-acetyl-3-benzoyl-5-fluoropyrimidine-2,4-dione is CC(=O)n1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O.
What is the InChIKey of 1-acetyl-3-benzoyl-5-fluoropyrimidine-2,4-dione?
The InChIKey is YKFSEZBIYCJJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O4/c1-8(17)15-7-10(14)12(19)16(13(15)20)11(18)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 1-acetyl-3-benzoyl-5-fluoropyrimidine-2,4-dione?
1-acetyl-3-benzoyl-5-fluoropyrimidine-2,4-dione has a molecular weight of 276.22 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-benzoyl-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 12690833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).