5-bromo-3-(3-fluoropropyl)-6-methylpyrimidin-4-one

C8H10BrFN2O — CID 81113543

IUPAC5-bromo-3-(3-fluoropropyl)-6-methylpyrimidin-4-one
SMILESCc1ncn(CCCF)c(=O)c1Br
InChIInChI=1S/C8H10BrFN2O/c1-6-7(9)8(13)12(5-11-6)4-2-3-10/h5H,2-4H2,1H3
InChIKeyUUBHJDVFOVSMFX-UHFFFAOYSA-N
MW249.08 g/mol
LogP1.67
Rot. Bonds3

About 5-bromo-3-(3-fluoropropyl)-6-methylpyrimidin-4-one

5-bromo-3-(3-fluoropropyl)-6-methylpyrimidin-4-one (PubChem CID 81113543) has the molecular formula C8H10BrFN2O and a molecular weight of 249.08 g/mol. Its IUPAC name is 5-bromo-3-(3-fluoropropyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(3-fluoropropyl)-6-methylpyrimidin-4-one
PubChem CID81113543
Molecular FormulaC8H10BrFN2O
Molecular Weight249.08 g/mol
Exact Mass248.00
IUPAC Name5-bromo-3-(3-fluoropropyl)-6-methylpyrimidin-4-one
SMILESCc1ncn(CCCF)c(=O)c1Br
InChIInChI=1S/C8H10BrFN2O/c1-6-7(9)8(13)12(5-11-6)4-2-3-10/h5H,2-4H2,1H3
InChIKeyUUBHJDVFOVSMFX-UHFFFAOYSA-N
XLogP1.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 51.67
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-fluoropropyl)-6-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-(3-fluoropropyl)-6-methylpyrimidin-4-one (CID 81113543) is 5-bromo-3-(3-fluoropropyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(3-fluoropropyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(3-fluoropropyl)-6-methylpyrimidin-4-one is Cc1ncn(CCCF)c(=O)c1Br.
What is the InChIKey of 5-bromo-3-(3-fluoropropyl)-6-methylpyrimidin-4-one?
The InChIKey is UUBHJDVFOVSMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2O/c1-6-7(9)8(13)12(5-11-6)4-2-3-10/h5H,2-4H2,1H3.
What are the key properties of 5-bromo-3-(3-fluoropropyl)-6-methylpyrimidin-4-one?
5-bromo-3-(3-fluoropropyl)-6-methylpyrimidin-4-one has a molecular weight of 249.08 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-fluoropropyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 81113543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).