5-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine

C7H6BrF3N2O — CID 131139115

IUPAC5-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCc1ncc(Br)c(OCC(F)(F)F)n1
InChIInChI=1S/C7H6BrF3N2O/c1-4-12-2-5(8)6(13-4)14-3-7(9,10)11/h2H,3H2,1H3
InChIKeyFDXQFMJAWSNSPA-UHFFFAOYSA-N
MW271.04 g/mol
LogP2.49
Rot. Bonds2

About 5-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine

5-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 131139115) has the molecular formula C7H6BrF3N2O and a molecular weight of 271.04 g/mol. Its IUPAC name is 5-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID131139115
Molecular FormulaC7H6BrF3N2O
Molecular Weight271.04 g/mol
Exact Mass269.96
IUPAC Name5-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCc1ncc(Br)c(OCC(F)(F)F)n1
InChIInChI=1S/C7H6BrF3N2O/c1-4-12-2-5(8)6(13-4)14-3-7(9,10)11/h2H,3H2,1H3
InChIKeyFDXQFMJAWSNSPA-UHFFFAOYSA-N
XLogP2.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.04
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine 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-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 5-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine (CID 131139115) is 5-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 5-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 5-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine is Cc1ncc(Br)c(OCC(F)(F)F)n1.
What is the InChIKey of 5-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is FDXQFMJAWSNSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2O/c1-4-12-2-5(8)6(13-4)14-3-7(9,10)11/h2H,3H2,1H3.
What are the key properties of 5-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine?
5-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 271.04 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 131139115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).