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

C11H14BrClF2N2O — CID 103146716

IUPAC5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine
SMILESCCCc1nc(CCOCC(F)F)nc(Cl)c1Br
InChIInChI=1S/C11H14BrClF2N2O/c1-2-3-7-10(12)11(13)17-9(16-7)4-5-18-6-8(14)15/h8H,2-6H2,1H3
InChIKeyQUWJIFJRFORYDN-UHFFFAOYSA-N
MW343.60 g/mol
LogP3.67
Rot. Bonds7

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

5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine (PubChem CID 103146716) has the molecular formula C11H14BrClF2N2O and a molecular weight of 343.60 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine
PubChem CID103146716
Molecular FormulaC11H14BrClF2N2O
Molecular Weight343.60 g/mol
Exact Mass341.99
IUPAC Name5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine
SMILESCCCc1nc(CCOCC(F)F)nc(Cl)c1Br
InChIInChI=1S/C11H14BrClF2N2O/c1-2-3-7-10(12)11(13)17-9(16-7)4-5-18-6-8(14)15/h8H,2-6H2,1H3
InChIKeyQUWJIFJRFORYDN-UHFFFAOYSA-N
XLogP3.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.60
LogP ≤ 53.67
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-propylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine (CID 103146716) is 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine is CCCc1nc(CCOCC(F)F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine?
The InChIKey is QUWJIFJRFORYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClF2N2O/c1-2-3-7-10(12)11(13)17-9(16-7)4-5-18-6-8(14)15/h8H,2-6H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine?
5-bromo-4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-propylpyrimidine has a molecular weight of 343.60 g/mol, XLogP of 3.67, 7 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-propylpyrimidine is sourced from PubChem (CID 103146716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).