5-bromo-4-chloro-6-ethyl-2-(2,2,2-trifluoroethyl)pyrimidine

C8H7BrClF3N2 — CID 66294014

IUPAC5-bromo-4-chloro-6-ethyl-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCCc1nc(CC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C8H7BrClF3N2/c1-2-4-6(9)7(10)15-5(14-4)3-8(11,12)13/h2-3H2,1H3
InChIKeyDHUOMLICIPGYHK-UHFFFAOYSA-N
MW303.51 g/mol
LogP3.56
Rot. Bonds2

About 5-bromo-4-chloro-6-ethyl-2-(2,2,2-trifluoroethyl)pyrimidine

5-bromo-4-chloro-6-ethyl-2-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 66294014) has the molecular formula C8H7BrClF3N2 and a molecular weight of 303.51 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-ethyl-2-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-ethyl-2-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID66294014
Molecular FormulaC8H7BrClF3N2
Molecular Weight303.51 g/mol
Exact Mass301.94
IUPAC Name5-bromo-4-chloro-6-ethyl-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCCc1nc(CC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C8H7BrClF3N2/c1-2-4-6(9)7(10)15-5(14-4)3-8(11,12)13/h2-3H2,1H3
InChIKeyDHUOMLICIPGYHK-UHFFFAOYSA-N
XLogP3.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-4-chloro-6-ethyl-2-(2,2,2-trifluoroethyl)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-4-chloro-6-ethyl-2-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(2,2,2-trifluoroethyl)pyrimidine (CID 66294014) is 5-bromo-4-chloro-6-ethyl-2-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-ethyl-2-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-ethyl-2-(2,2,2-trifluoroethyl)pyrimidine is CCc1nc(CC(F)(F)F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-ethyl-2-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is DHUOMLICIPGYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF3N2/c1-2-4-6(9)7(10)15-5(14-4)3-8(11,12)13/h2-3H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-ethyl-2-(2,2,2-trifluoroethyl)pyrimidine?
5-bromo-4-chloro-6-ethyl-2-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 303.51 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-ethyl-2-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 66294014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).