5-bromo-4-methyl-2-(trifluoromethyl)pyrimidine

C6H4BrF3N2 — CID 68841653

IUPAC5-bromo-4-methyl-2-(trifluoromethyl)pyrimidine
SMILESCc1nc(C(F)(F)F)ncc1Br
InChIInChI=1S/C6H4BrF3N2/c1-3-4(7)2-11-5(12-3)6(8,9)10/h2H,1H3
InChIKeyLPWIDWXNZMPLDJ-UHFFFAOYSA-N
MW241.01 g/mol
LogP2.57
Rot. Bonds

About 5-bromo-4-methyl-2-(trifluoromethyl)pyrimidine

5-bromo-4-methyl-2-(trifluoromethyl)pyrimidine (PubChem CID 68841653) has the molecular formula C6H4BrF3N2 and a molecular weight of 241.01 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-methyl-2-(trifluoromethyl)pyrimidine
PubChem CID68841653
Molecular FormulaC6H4BrF3N2
Molecular Weight241.01 g/mol
Exact Mass239.95
IUPAC Name5-bromo-4-methyl-2-(trifluoromethyl)pyrimidine
SMILESCc1nc(C(F)(F)F)ncc1Br
InChIInChI=1S/C6H4BrF3N2/c1-3-4(7)2-11-5(12-3)6(8,9)10/h2H,1H3
InChIKeyLPWIDWXNZMPLDJ-UHFFFAOYSA-N
XLogP2.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.01
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-4-methyl-2-(trifluoromethyl)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-methyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-bromo-4-methyl-2-(trifluoromethyl)pyrimidine (CID 68841653) is 5-bromo-4-methyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-methyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-methyl-2-(trifluoromethyl)pyrimidine is Cc1nc(C(F)(F)F)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is LPWIDWXNZMPLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N2/c1-3-4(7)2-11-5(12-3)6(8,9)10/h2H,1H3.
What are the key properties of 5-bromo-4-methyl-2-(trifluoromethyl)pyrimidine?
5-bromo-4-methyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 241.01 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 68841653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).