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

C7H8BrFN2O — CID 81113542

IUPAC5-bromo-3-(3-fluoropropyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCCF
InChIInChI=1S/C7H8BrFN2O/c8-6-4-10-5-11(7(6)12)3-1-2-9/h4-5H,1-3H2
InChIKeyMKHSHWLOGUINHL-UHFFFAOYSA-N
MW235.06 g/mol
LogP1.37
Rot. Bonds3

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

5-bromo-3-(3-fluoropropyl)pyrimidin-4-one (PubChem CID 81113542) has the molecular formula C7H8BrFN2O and a molecular weight of 235.06 g/mol. Its IUPAC name is 5-bromo-3-(3-fluoropropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(3-fluoropropyl)pyrimidin-4-one
PubChem CID81113542
Molecular FormulaC7H8BrFN2O
Molecular Weight235.06 g/mol
Exact Mass233.98
IUPAC Name5-bromo-3-(3-fluoropropyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCCF
InChIInChI=1S/C7H8BrFN2O/c8-6-4-10-5-11(7(6)12)3-1-2-9/h4-5H,1-3H2
InChIKeyMKHSHWLOGUINHL-UHFFFAOYSA-N
XLogP1.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.06
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-(3-fluoropropyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-fluoropropyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(3-fluoropropyl)pyrimidin-4-one (CID 81113542) is 5-bromo-3-(3-fluoropropyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(3-fluoropropyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(3-fluoropropyl)pyrimidin-4-one is O=c1c(Br)cncn1CCCF.
What is the InChIKey of 5-bromo-3-(3-fluoropropyl)pyrimidin-4-one?
The InChIKey is MKHSHWLOGUINHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN2O/c8-6-4-10-5-11(7(6)12)3-1-2-9/h4-5H,1-3H2.
What are the key properties of 5-bromo-3-(3-fluoropropyl)pyrimidin-4-one?
5-bromo-3-(3-fluoropropyl)pyrimidin-4-one has a molecular weight of 235.06 g/mol, XLogP of 1.37, 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)pyrimidin-4-one is sourced from PubChem (CID 81113542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).