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

C11H12BrClF2N2O — CID 103146735

IUPAC5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine
SMILESFC(F)COCCc1nc(Cl)c(Br)c(C2CC2)n1
InChIInChI=1S/C11H12BrClF2N2O/c12-9-10(6-1-2-6)16-8(17-11(9)13)3-4-18-5-7(14)15/h6-7H,1-5H2
InChIKeyTXXXCRTXLWBQMQ-UHFFFAOYSA-N
MW341.58 g/mol
LogP3.59
Rot. Bonds6

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

5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine (PubChem CID 103146735) has the molecular formula C11H12BrClF2N2O and a molecular weight of 341.58 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine
PubChem CID103146735
Molecular FormulaC11H12BrClF2N2O
Molecular Weight341.58 g/mol
Exact Mass339.98
IUPAC Name5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine
SMILESFC(F)COCCc1nc(Cl)c(Br)c(C2CC2)n1
InChIInChI=1S/C11H12BrClF2N2O/c12-9-10(6-1-2-6)16-8(17-11(9)13)3-4-18-5-7(14)15/h6-7H,1-5H2
InChIKeyTXXXCRTXLWBQMQ-UHFFFAOYSA-N
XLogP3.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.58
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]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-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine (CID 103146735) is 5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine is FC(F)COCCc1nc(Cl)c(Br)c(C2CC2)n1.
What is the InChIKey of 5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine?
The InChIKey is TXXXCRTXLWBQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClF2N2O/c12-9-10(6-1-2-6)16-8(17-11(9)13)3-4-18-5-7(14)15/h6-7H,1-5H2.
What are the key properties of 5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine?
5-bromo-4-chloro-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine has a molecular weight of 341.58 g/mol, XLogP of 3.59, 6 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-difluoroethoxy)ethyl]pyrimidine is sourced from PubChem (CID 103146735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).