5-acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione

C16H15FN2O4 — CID 54037454

IUPAC5-acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESC=CC(C)n1c(O)c(C(C)=O)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H15FN2O4/c1-4-9(2)18-14(21)13(10(3)20)15(22)19(16(18)23)12-7-5-11(17)6-8-12/h4-9,21H,1H2,2-3H3
InChIKeyRWDVIUBKYCKZAR-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.79
Rot. Bonds4

About 5-acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione

5-acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 54037454) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 5-acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID54037454
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name5-acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESC=CC(C)n1c(O)c(C(C)=O)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H15FN2O4/c1-4-9(2)18-14(21)13(10(3)20)15(22)19(16(18)23)12-7-5-11(17)6-8-12/h4-9,21H,1H2,2-3H3
InChIKeyRWDVIUBKYCKZAR-UHFFFAOYSA-N
XLogP1.79
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-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

6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione
CID 2457625
5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 666626
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 4848846
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 4848842
1-Cyclohexyl-5-methyl-3-phenylpyrimidine-2,4-dione
CID 240904
Uracil, 3,6-dimethyl-5-((dimethylamino)methyl)-1-phenyl-, monohydrobromide
CID 3041137
Uracil, 1,6-dimethyl-5-((dimethylamino)methyl)-3-phenyl-, monohydrochloride
CID 3041143
3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido(2,3-d)pyrimidine-2,4,7(1H,3H,8H)-trione
CID 59717004
5-Methyl-3-phenyl-1-propan-2-ylpyrimidine-2,4-dione
CID 242419
6-Anilino-1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
CID 71819363
1,3-dimethyl-7-phenyl-6H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione
CID 687888
5-Acetyl-3-phenyl-2,4(1H,3H)-pyrimidinedione
CID 44722439

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (CID 54037454) is 5-acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is C=CC(C)n1c(O)c(C(C)=O)c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 5-acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is RWDVIUBKYCKZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-4-9(2)18-14(21)13(10(3)20)15(22)19(16(18)23)12-7-5-11(17)6-8-12/h4-9,21H,1H2,2-3H3.
What are the key properties of 5-acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
5-acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 318.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 54037454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).