1-ethenyl-5-fluoropyrimidine-2,4-dione

C6H5FN2O2 — CID 12534518

IUPAC1-ethenyl-5-fluoropyrimidine-2,4-dione
SMILESC=Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C6H5FN2O2/c1-2-9-3-4(7)5(10)8-6(9)11/h2-3H,1H2,(H,8,10,11)
InChIKeyYURPSFJZGOGKIO-UHFFFAOYSA-N
MW156.12 g/mol
LogP-0.22
Rot. Bonds1

About 1-ethenyl-5-fluoropyrimidine-2,4-dione

1-ethenyl-5-fluoropyrimidine-2,4-dione (PubChem CID 12534518) has the molecular formula C6H5FN2O2 and a molecular weight of 156.12 g/mol. Its IUPAC name is 1-ethenyl-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethenyl-5-fluoropyrimidine-2,4-dione
PubChem CID12534518
Molecular FormulaC6H5FN2O2
Molecular Weight156.12 g/mol
Exact Mass156.03
IUPAC Name1-ethenyl-5-fluoropyrimidine-2,4-dione
SMILESC=Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C6H5FN2O2/c1-2-9-3-4(7)5(10)8-6(9)11/h2-3H,1H2,(H,8,10,11)
InChIKeyYURPSFJZGOGKIO-UHFFFAOYSA-N
XLogP-0.22
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.12
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-ethenyl-5-fluoropyrimidine-2,4-dione (CID 12534518) is 1-ethenyl-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-ethenyl-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-ethenyl-5-fluoropyrimidine-2,4-dione is C=Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-ethenyl-5-fluoropyrimidine-2,4-dione?
The InChIKey is YURPSFJZGOGKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O2/c1-2-9-3-4(7)5(10)8-6(9)11/h2-3H,1H2,(H,8,10,11).
What are the key properties of 1-ethenyl-5-fluoropyrimidine-2,4-dione?
1-ethenyl-5-fluoropyrimidine-2,4-dione has a molecular weight of 156.12 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 12534518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).