5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione

C13H13FN2O2 — CID 66330527

IUPAC5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
SMILESCCc1cn(Cc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H13FN2O2/c1-2-10-8-16(13(18)15-12(10)17)7-9-3-5-11(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17,18)
InChIKeyPEUOCHXTSZXLLF-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.29
Rot. Bonds3

About 5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione

5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 66330527) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
PubChem CID66330527
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
SMILESCCc1cn(Cc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H13FN2O2/c1-2-10-8-16(13(18)15-12(10)17)7-9-3-5-11(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17,18)
InChIKeyPEUOCHXTSZXLLF-UHFFFAOYSA-N
XLogP1.29
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione (CID 66330527) is 5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is CCc1cn(Cc2ccc(F)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is PEUOCHXTSZXLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-2-10-8-16(13(18)15-12(10)17)7-9-3-5-11(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17,18).
What are the key properties of 5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 248.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66330527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).