2-bromo-4-[1-(trifluoromethyl)cyclopropyl]pyrimidine

C8H6BrF3N2 — CID 166636798

IUPAC2-bromo-4-[1-(trifluoromethyl)cyclopropyl]pyrimidine
SMILESFC(F)(F)C1(c2ccnc(Br)n2)CC1
InChIInChI=1S/C8H6BrF3N2/c9-6-13-4-1-5(14-6)7(2-3-7)8(10,11)12/h1,4H,2-3H2
InChIKeyIMVCSZDIUPIVML-UHFFFAOYSA-N
MW267.05 g/mol
LogP2.83
Rot. Bonds1

About 2-bromo-4-[1-(trifluoromethyl)cyclopropyl]pyrimidine

2-bromo-4-[1-(trifluoromethyl)cyclopropyl]pyrimidine (PubChem CID 166636798) has the molecular formula C8H6BrF3N2 and a molecular weight of 267.05 g/mol. Its IUPAC name is 2-bromo-4-[1-(trifluoromethyl)cyclopropyl]pyrimidine.

Molecular Properties

Compound Name2-bromo-4-[1-(trifluoromethyl)cyclopropyl]pyrimidine
PubChem CID166636798
Molecular FormulaC8H6BrF3N2
Molecular Weight267.05 g/mol
Exact Mass265.97
IUPAC Name2-bromo-4-[1-(trifluoromethyl)cyclopropyl]pyrimidine
SMILESFC(F)(F)C1(c2ccnc(Br)n2)CC1
InChIInChI=1S/C8H6BrF3N2/c9-6-13-4-1-5(14-6)7(2-3-7)8(10,11)12/h1,4H,2-3H2
InChIKeyIMVCSZDIUPIVML-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.05
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-[1-(trifluoromethyl)cyclopropyl]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 2-bromo-4-[1-(trifluoromethyl)cyclopropyl]pyrimidine?
The IUPAC name of 2-bromo-4-[1-(trifluoromethyl)cyclopropyl]pyrimidine (CID 166636798) is 2-bromo-4-[1-(trifluoromethyl)cyclopropyl]pyrimidine.
What is the SMILES notation for 2-bromo-4-[1-(trifluoromethyl)cyclopropyl]pyrimidine?
The canonical SMILES for 2-bromo-4-[1-(trifluoromethyl)cyclopropyl]pyrimidine is FC(F)(F)C1(c2ccnc(Br)n2)CC1.
What is the InChIKey of 2-bromo-4-[1-(trifluoromethyl)cyclopropyl]pyrimidine?
The InChIKey is IMVCSZDIUPIVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3N2/c9-6-13-4-1-5(14-6)7(2-3-7)8(10,11)12/h1,4H,2-3H2.
What are the key properties of 2-bromo-4-[1-(trifluoromethyl)cyclopropyl]pyrimidine?
2-bromo-4-[1-(trifluoromethyl)cyclopropyl]pyrimidine has a molecular weight of 267.05 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[1-(trifluoromethyl)cyclopropyl]pyrimidine is sourced from PubChem (CID 166636798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).