5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione

C13H11FN2O4 — CID 80643071

IUPAC5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(F)c(-n2c(=O)[nH]cc(C(C)=O)c2=O)c1
InChIInChI=1S/C13H11FN2O4/c1-7(17)9-6-15-13(19)16(12(9)18)11-5-8(20-2)3-4-10(11)14/h3-6H,1-2H3,(H,15,19)
InChIKeyIUFSFGYIJQOWCE-UHFFFAOYSA-N
MW278.24 g/mol
LogP0.88
Rot. Bonds3

About 5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione

5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 80643071) has the molecular formula C13H11FN2O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione
PubChem CID80643071
Molecular FormulaC13H11FN2O4
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Name5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(F)c(-n2c(=O)[nH]cc(C(C)=O)c2=O)c1
InChIInChI=1S/C13H11FN2O4/c1-7(17)9-6-15-13(19)16(12(9)18)11-5-8(20-2)3-4-10(11)14/h3-6H,1-2H3,(H,15,19)
InChIKeyIUFSFGYIJQOWCE-UHFFFAOYSA-N
XLogP0.88
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-fluorobenzonitrile
CID 80643209
5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112601269
N-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137394
5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione
CID 80642770
3-(2-fluoro-5-methoxyphenyl)-4-methyl-1H-imidazole-2-thione
CID 81335122
5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione
CID 107851475
3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82486235
N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7080837
3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5142971
5-acetyl-3-(3-bromo-5-methylphenyl)-1H-pyrimidine-2,4-dione
CID 107580582
5-acetyl-3-(1,3-benzodioxol-5-yl)-1H-pyrimidine-2,4-dione
CID 80643686
4-tert-butyl-3-(2-fluoro-5-methoxyphenyl)-1H-imidazole-2-thione
CID 81335121

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione (CID 80643071) is 5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione is COc1ccc(F)c(-n2c(=O)[nH]cc(C(C)=O)c2=O)c1.
What is the InChIKey of 5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is IUFSFGYIJQOWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4/c1-7(17)9-6-15-13(19)16(12(9)18)11-5-8(20-2)3-4-10(11)14/h3-6H,1-2H3,(H,15,19).
What are the key properties of 5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 278.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80643071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).