5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione

C13H11FN2O3 — CID 60734863

IUPAC5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1ccc(C(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H11FN2O3/c1-8-2-4-9(5-3-8)11(17)7-16-6-10(14)12(18)15-13(16)19/h2-6H,7H2,1H3,(H,15,18,19)
InChIKeyZPXDVNSERYCVRQ-UHFFFAOYSA-N
MW262.24 g/mol
LogP0.87
Rot. Bonds3

About 5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione

5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 60734863) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID60734863
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1ccc(C(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H11FN2O3/c1-8-2-4-9(5-3-8)11(17)7-16-6-10(14)12(18)15-13(16)19/h2-6H,7H2,1H3,(H,15,18,19)
InChIKeyZPXDVNSERYCVRQ-UHFFFAOYSA-N
XLogP0.87
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734699
5-fluoro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 63558385
5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 55027813
5-fluoro-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione
CID 172965199
1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
CID 172965222
5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione
CID 63557987
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
CID 60734724
methyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 637881
5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione
CID 107507774
5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66328149
5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734826
5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione
CID 55219097

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione (CID 60734863) is 5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione is Cc1ccc(C(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is ZPXDVNSERYCVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-8-2-4-9(5-3-8)11(17)7-16-6-10(14)12(18)15-13(16)19/h2-6H,7H2,1H3,(H,15,18,19).
What are the key properties of 5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 262.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 60734863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).