5-bromo-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one

C7H6BrF3N2O — CID 66308335

IUPAC5-bromo-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
SMILESCc1ncn(CC(F)(F)F)c(=O)c1Br
InChIInChI=1S/C7H6BrF3N2O/c1-4-5(8)6(14)13(3-12-4)2-7(9,10)11/h3H,2H2,1H3
InChIKeyQPRALUYGMTUOQD-UHFFFAOYSA-N
MW271.04 g/mol
LogP1.88
Rot. Bonds1

About 5-bromo-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one

5-bromo-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one (PubChem CID 66308335) has the molecular formula C7H6BrF3N2O and a molecular weight of 271.04 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
PubChem CID66308335
Molecular FormulaC7H6BrF3N2O
Molecular Weight271.04 g/mol
Exact Mass269.96
IUPAC Name5-bromo-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
SMILESCc1ncn(CC(F)(F)F)c(=O)c1Br
InChIInChI=1S/C7H6BrF3N2O/c1-4-5(8)6(14)13(3-12-4)2-7(9,10)11/h3H,2H2,1H3
InChIKeyQPRALUYGMTUOQD-UHFFFAOYSA-N
XLogP1.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.04
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-6-methyl-3-(2,2,2-trifluoroethyl)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-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one (CID 66308335) is 5-bromo-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one is Cc1ncn(CC(F)(F)F)c(=O)c1Br.
What is the InChIKey of 5-bromo-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The InChIKey is QPRALUYGMTUOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2O/c1-4-5(8)6(14)13(3-12-4)2-7(9,10)11/h3H,2H2,1H3.
What are the key properties of 5-bromo-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
5-bromo-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one has a molecular weight of 271.04 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one is sourced from PubChem (CID 66308335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).