5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine

C11H11BrClF3N2O — CID 103146734

IUPAC5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
SMILESFC(F)(F)COCCc1nc(Cl)c(Br)c(C2CC2)n1
InChIInChI=1S/C11H11BrClF3N2O/c12-8-9(6-1-2-6)17-7(18-10(8)13)3-4-19-5-11(14,15)16/h6H,1-5H2
InChIKeyIHWCEUILLBTBQD-UHFFFAOYSA-N
MW359.57 g/mol
LogP3.89
Rot. Bonds5

About 5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine

5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine (PubChem CID 103146734) has the molecular formula C11H11BrClF3N2O and a molecular weight of 359.57 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
PubChem CID103146734
Molecular FormulaC11H11BrClF3N2O
Molecular Weight359.57 g/mol
Exact Mass357.97
IUPAC Name5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
SMILESFC(F)(F)COCCc1nc(Cl)c(Br)c(C2CC2)n1
InChIInChI=1S/C11H11BrClF3N2O/c12-8-9(6-1-2-6)17-7(18-10(8)13)3-4-19-5-11(14,15)16/h6H,1-5H2
InChIKeyIHWCEUILLBTBQD-UHFFFAOYSA-N
XLogP3.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.57
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine (CID 103146734) is 5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine is FC(F)(F)COCCc1nc(Cl)c(Br)c(C2CC2)n1.
What is the InChIKey of 5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
The InChIKey is IHWCEUILLBTBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClF3N2O/c12-8-9(6-1-2-6)17-7(18-10(8)13)3-4-19-5-11(14,15)16/h6H,1-5H2.
What are the key properties of 5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine has a molecular weight of 359.57 g/mol, XLogP of 3.89, 5 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-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine is sourced from PubChem (CID 103146734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).