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

C6H6BrFN2O — CID 141472903

IUPAC4-bromo-2-ethyl-5-fluoro-1H-pyrimidin-6-one
SMILESCCc1nc(Br)c(F)c(=O)[nH]1
InChIInChI=1S/C6H6BrFN2O/c1-2-3-9-5(7)4(8)6(11)10-3/h2H2,1H3,(H,9,10,11)
InChIKeyLJLGTEABBBVEIE-UHFFFAOYSA-N
MW221.03 g/mol
LogP1.23
Rot. Bonds1

About 4-bromo-2-ethyl-5-fluoro-1H-pyrimidin-6-one

4-bromo-2-ethyl-5-fluoro-1H-pyrimidin-6-one (PubChem CID 141472903) has the molecular formula C6H6BrFN2O and a molecular weight of 221.03 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-fluoro-1H-pyrimidin-6-one
PubChem CID141472903
Molecular FormulaC6H6BrFN2O
Molecular Weight221.03 g/mol
Exact Mass219.96
IUPAC Name4-bromo-2-ethyl-5-fluoro-1H-pyrimidin-6-one
SMILESCCc1nc(Br)c(F)c(=O)[nH]1
InChIInChI=1S/C6H6BrFN2O/c1-2-3-9-5(7)4(8)6(11)10-3/h2H2,1H3,(H,9,10,11)
InChIKeyLJLGTEABBBVEIE-UHFFFAOYSA-N
XLogP1.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.03
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 4-bromo-2-ethyl-5-fluoro-1H-pyrimidin-6-one (CID 141472903) is 4-bromo-2-ethyl-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 4-bromo-2-ethyl-5-fluoro-1H-pyrimidin-6-one is CCc1nc(Br)c(F)c(=O)[nH]1.
What is the InChIKey of 4-bromo-2-ethyl-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is LJLGTEABBBVEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2O/c1-2-3-9-5(7)4(8)6(11)10-3/h2H2,1H3,(H,9,10,11).
What are the key properties of 4-bromo-2-ethyl-5-fluoro-1H-pyrimidin-6-one?
4-bromo-2-ethyl-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 221.03 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 141472903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).