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

C10H12BrClF2N2O — CID 103146722

IUPAC5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylpyrimidine
SMILESCCc1nc(CCOCC(F)F)nc(Cl)c1Br
InChIInChI=1S/C10H12BrClF2N2O/c1-2-6-9(11)10(12)16-8(15-6)3-4-17-5-7(13)14/h7H,2-5H2,1H3
InChIKeyQTFRHMZUERISBF-UHFFFAOYSA-N
MW329.57 g/mol
LogP3.28
Rot. Bonds6

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

5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylpyrimidine (PubChem CID 103146722) has the molecular formula C10H12BrClF2N2O and a molecular weight of 329.57 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylpyrimidine
PubChem CID103146722
Molecular FormulaC10H12BrClF2N2O
Molecular Weight329.57 g/mol
Exact Mass327.98
IUPAC Name5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylpyrimidine
SMILESCCc1nc(CCOCC(F)F)nc(Cl)c1Br
InChIInChI=1S/C10H12BrClF2N2O/c1-2-6-9(11)10(12)16-8(15-6)3-4-17-5-7(13)14/h7H,2-5H2,1H3
InChIKeyQTFRHMZUERISBF-UHFFFAOYSA-N
XLogP3.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 53.28
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-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylpyrimidine (CID 103146722) is 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylpyrimidine is CCc1nc(CCOCC(F)F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylpyrimidine?
The InChIKey is QTFRHMZUERISBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClF2N2O/c1-2-6-9(11)10(12)16-8(15-6)3-4-17-5-7(13)14/h7H,2-5H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylpyrimidine?
5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylpyrimidine has a molecular weight of 329.57 g/mol, XLogP of 3.28, 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-2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylpyrimidine is sourced from PubChem (CID 103146722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).