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

C8H7BrClF3N2O — CID 66294674

IUPAC5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCOCc1nc(CC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C8H7BrClF3N2O/c1-16-3-4-6(9)7(10)15-5(14-4)2-8(11,12)13/h2-3H2,1H3
InChIKeyYNHVCXUUICKPTJ-UHFFFAOYSA-N
MW319.51 g/mol
LogP3.14
Rot. Bonds3

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

5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 66294674) has the molecular formula C8H7BrClF3N2O and a molecular weight of 319.51 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID66294674
Molecular FormulaC8H7BrClF3N2O
Molecular Weight319.51 g/mol
Exact Mass317.94
IUPAC Name5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCOCc1nc(CC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C8H7BrClF3N2O/c1-16-3-4-6(9)7(10)15-5(14-4)2-8(11,12)13/h2-3H2,1H3
InChIKeyYNHVCXUUICKPTJ-UHFFFAOYSA-N
XLogP3.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.51
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-chloro-6-(methoxymethyl)-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-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine (CID 66294674) is 5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine is COCc1nc(CC(F)(F)F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is YNHVCXUUICKPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF3N2O/c1-16-3-4-6(9)7(10)15-5(14-4)2-8(11,12)13/h2-3H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine?
5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 319.51 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 66294674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).