3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione

C12H11FN2O3 — CID 58122381

IUPAC3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione
SMILESCn1cc(O)c(=O)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C12H11FN2O3/c1-14-7-10(16)11(17)15(12(14)18)6-8-2-4-9(13)5-3-8/h2-5,7,16H,6H2,1H3
InChIKeyGUFNDWSGVAPIFY-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.44
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione

3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione (PubChem CID 58122381) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione
PubChem CID58122381
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione
SMILESCn1cc(O)c(=O)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C12H11FN2O3/c1-14-7-10(16)11(17)15(12(14)18)6-8-2-4-9(13)5-3-8/h2-5,7,16H,6H2,1H3
InChIKeyGUFNDWSGVAPIFY-UHFFFAOYSA-N
XLogP0.44
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione (CID 58122381) is 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione is Cn1cc(O)c(=O)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione?
The InChIKey is GUFNDWSGVAPIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-14-7-10(16)11(17)15(12(14)18)6-8-2-4-9(13)5-3-8/h2-5,7,16H,6H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione?
3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione has a molecular weight of 250.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 58122381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).