2-ethyl-5-fluoro-1H-pyrimidin-6-one

C6H7FN2O — CID 45080158

IUPAC2-ethyl-5-fluoro-1H-pyrimidin-6-one
SMILESCCc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C6H7FN2O/c1-2-5-8-3-4(7)6(10)9-5/h3H,2H2,1H3,(H,8,9,10)
InChIKeyLLUXOSQJIACHOJ-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.47
Rot. Bonds1

About 2-ethyl-5-fluoro-1H-pyrimidin-6-one

2-ethyl-5-fluoro-1H-pyrimidin-6-one (PubChem CID 45080158) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 2-ethyl-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-5-fluoro-1H-pyrimidin-6-one
PubChem CID45080158
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name2-ethyl-5-fluoro-1H-pyrimidin-6-one
SMILESCCc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C6H7FN2O/c1-2-5-8-3-4(7)6(10)9-5/h3H,2H2,1H3,(H,8,9,10)
InChIKeyLLUXOSQJIACHOJ-UHFFFAOYSA-N
XLogP0.47
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-5-fluoro-1H-pyrimidin-6-one (CID 45080158) is 2-ethyl-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-5-fluoro-1H-pyrimidin-6-one is CCc1ncc(F)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is LLUXOSQJIACHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c1-2-5-8-3-4(7)6(10)9-5/h3H,2H2,1H3,(H,8,9,10).
What are the key properties of 2-ethyl-5-fluoro-1H-pyrimidin-6-one?
2-ethyl-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 142.13 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 45080158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).