5-bromo-3-(2-methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one

C8H8BrF3N2O2 — CID 165478521

IUPAC5-bromo-3-(2-methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one
SMILESCOCCn1cnc(C(F)(F)F)c(Br)c1=O
InChIInChI=1S/C8H8BrF3N2O2/c1-16-3-2-14-4-13-6(8(10,11)12)5(9)7(14)15/h4H,2-3H2,1H3
InChIKeyQZRJSUTUWTVQCM-UHFFFAOYSA-N
MW301.06 g/mol
LogP1.67
Rot. Bonds3

About 5-bromo-3-(2-methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one

5-bromo-3-(2-methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 165478521) has the molecular formula C8H8BrF3N2O2 and a molecular weight of 301.06 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(2-methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID165478521
Molecular FormulaC8H8BrF3N2O2
Molecular Weight301.06 g/mol
Exact Mass299.97
IUPAC Name5-bromo-3-(2-methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one
SMILESCOCCn1cnc(C(F)(F)F)c(Br)c1=O
InChIInChI=1S/C8H8BrF3N2O2/c1-16-3-2-14-4-13-6(8(10,11)12)5(9)7(14)15/h4H,2-3H2,1H3
InChIKeyQZRJSUTUWTVQCM-UHFFFAOYSA-N
XLogP1.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.06
LogP ≤ 51.67
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-methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(2-methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one (CID 165478521) is 5-bromo-3-(2-methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(2-methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(2-methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one is COCCn1cnc(C(F)(F)F)c(Br)c1=O.
What is the InChIKey of 5-bromo-3-(2-methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is QZRJSUTUWTVQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2O2/c1-16-3-2-14-4-13-6(8(10,11)12)5(9)7(14)15/h4H,2-3H2,1H3.
What are the key properties of 5-bromo-3-(2-methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one?
5-bromo-3-(2-methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 301.06 g/mol, XLogP of 1.67, 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-methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 165478521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).