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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Benzyluracil
CID 236212
1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione
CID 237953
5-Phenyluracil
CID 287110
1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione
CID 126342
6-Chloro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648521
6-Fluoro-5-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648527
N-benzoyl-2-ethyl-1-piperidinecarboxamide
CID 2951994
4-(2-Fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 2912658
N-hexyl-2,4-dioxo-5-phenyl-pyrimidine-1-carboxamide
CID 71654890
3-benzoyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71655043
3-Benzoyluracil
CID 569513
5-methyl-1-(2-methylbenzyl)-2,4(1H,3H)-pyrimidinedione
CID 736451

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).