5-bromo-3-(3-fluorocyclobutyl)pyrimidin-4-one

C8H8BrFN2O — CID 166981744

IUPAC5-bromo-3-(3-fluorocyclobutyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1C1CC(F)C1
InChIInChI=1S/C8H8BrFN2O/c9-7-3-11-4-12(8(7)13)6-1-5(10)2-6/h3-6H,1-2H2
InChIKeyGELYSVPBODMSAH-UHFFFAOYSA-N
MW247.07 g/mol
LogP1.68
Rot. Bonds1

About 5-bromo-3-(3-fluorocyclobutyl)pyrimidin-4-one

5-bromo-3-(3-fluorocyclobutyl)pyrimidin-4-one (PubChem CID 166981744) has the molecular formula C8H8BrFN2O and a molecular weight of 247.07 g/mol. Its IUPAC name is 5-bromo-3-(3-fluorocyclobutyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(3-fluorocyclobutyl)pyrimidin-4-one
PubChem CID166981744
Molecular FormulaC8H8BrFN2O
Molecular Weight247.07 g/mol
Exact Mass245.98
IUPAC Name5-bromo-3-(3-fluorocyclobutyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1C1CC(F)C1
InChIInChI=1S/C8H8BrFN2O/c9-7-3-11-4-12(8(7)13)6-1-5(10)2-6/h3-6H,1-2H2
InChIKeyGELYSVPBODMSAH-UHFFFAOYSA-N
XLogP1.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-fluorocyclobutyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(3-fluorocyclobutyl)pyrimidin-4-one (CID 166981744) is 5-bromo-3-(3-fluorocyclobutyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(3-fluorocyclobutyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(3-fluorocyclobutyl)pyrimidin-4-one is O=c1c(Br)cncn1C1CC(F)C1.
What is the InChIKey of 5-bromo-3-(3-fluorocyclobutyl)pyrimidin-4-one?
The InChIKey is GELYSVPBODMSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2O/c9-7-3-11-4-12(8(7)13)6-1-5(10)2-6/h3-6H,1-2H2.
What are the key properties of 5-bromo-3-(3-fluorocyclobutyl)pyrimidin-4-one?
5-bromo-3-(3-fluorocyclobutyl)pyrimidin-4-one has a molecular weight of 247.07 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-fluorocyclobutyl)pyrimidin-4-one is sourced from PubChem (CID 166981744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).