5-bromo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one

C7H6BrF3N2O2 — CID 66311062

IUPAC5-bromo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCOC(F)(F)F
InChIInChI=1S/C7H6BrF3N2O2/c8-5-3-12-4-13(6(5)14)1-2-15-7(9,10)11/h3-4H,1-2H2
InChIKeyBTFYNPXBEVFTOS-UHFFFAOYSA-N
MW287.04 g/mol
LogP1.54
Rot. Bonds3

About 5-bromo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one

5-bromo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one (PubChem CID 66311062) has the molecular formula C7H6BrF3N2O2 and a molecular weight of 287.04 g/mol. Its IUPAC name is 5-bromo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
PubChem CID66311062
Molecular FormulaC7H6BrF3N2O2
Molecular Weight287.04 g/mol
Exact Mass285.96
IUPAC Name5-bromo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCOC(F)(F)F
InChIInChI=1S/C7H6BrF3N2O2/c8-5-3-12-4-13(6(5)14)1-2-15-7(9,10)11/h3-4H,1-2H2
InChIKeyBTFYNPXBEVFTOS-UHFFFAOYSA-N
XLogP1.54
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.04
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one (CID 66311062) is 5-bromo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one is O=c1c(Br)cncn1CCOC(F)(F)F.
What is the InChIKey of 5-bromo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The InChIKey is BTFYNPXBEVFTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2O2/c8-5-3-12-4-13(6(5)14)1-2-15-7(9,10)11/h3-4H,1-2H2.
What are the key properties of 5-bromo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
5-bromo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one has a molecular weight of 287.04 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 66311062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).