3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione

C14H13FN2O3 — CID 63801201

IUPAC3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(CC(=O)Cc2ccccc2F)c1=O
InChIInChI=1S/C14H13FN2O3/c1-16-7-6-13(19)17(14(16)20)9-11(18)8-10-4-2-3-5-12(10)15/h2-7H,8-9H2,1H3
InChIKeySIUZTBDWFSGXLS-UHFFFAOYSA-N
MW276.27 g/mol
LogP0.50
Rot. Bonds4

About 3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione

3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione (PubChem CID 63801201) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione
PubChem CID63801201
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(CC(=O)Cc2ccccc2F)c1=O
InChIInChI=1S/C14H13FN2O3/c1-16-7-6-13(19)17(14(16)20)9-11(18)8-10-4-2-3-5-12(10)15/h2-7H,8-9H2,1H3
InChIKeySIUZTBDWFSGXLS-UHFFFAOYSA-N
XLogP0.50
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 55204651
3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 102974838
N,N-diethyl-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 60697740
1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one
CID 82782618
2-fluoro-3-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]benzonitrile
CID 103912262
1-(2-fluorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-2-one
CID 114538567
1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione
CID 62016943
1-(2-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-one
CID 102744775
N-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 60697679
1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one
CID 43802153
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one
CID 107393650

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione (CID 63801201) is 3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione is Cn1ccc(=O)n(CC(=O)Cc2ccccc2F)c1=O.
What is the InChIKey of 3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is SIUZTBDWFSGXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-16-7-6-13(19)17(14(16)20)9-11(18)8-10-4-2-3-5-12(10)15/h2-7H,8-9H2,1H3.
What are the key properties of 3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione?
3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 276.27 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-2-oxopropyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 63801201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).