4-bromo-2-ethoxy-6-methylpyrimidine

C7H9BrN2O — CID 115029853

IUPAC4-bromo-2-ethoxy-6-methylpyrimidine
SMILESCCOc1nc(C)cc(Br)n1
InChIInChI=1S/C7H9BrN2O/c1-3-11-7-9-5(2)4-6(8)10-7/h4H,3H2,1-2H3
InChIKeyZIFLLLZPHNIAIJ-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.95
Rot. Bonds2

About 4-bromo-2-ethoxy-6-methylpyrimidine

4-bromo-2-ethoxy-6-methylpyrimidine (PubChem CID 115029853) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 4-bromo-2-ethoxy-6-methylpyrimidine.

Molecular Properties

Compound Name4-bromo-2-ethoxy-6-methylpyrimidine
PubChem CID115029853
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name4-bromo-2-ethoxy-6-methylpyrimidine
SMILESCCOc1nc(C)cc(Br)n1
InChIInChI=1S/C7H9BrN2O/c1-3-11-7-9-5(2)4-6(8)10-7/h4H,3H2,1-2H3
InChIKeyZIFLLLZPHNIAIJ-UHFFFAOYSA-N
XLogP1.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethoxy-6-methylpyrimidine?
The IUPAC name of 4-bromo-2-ethoxy-6-methylpyrimidine (CID 115029853) is 4-bromo-2-ethoxy-6-methylpyrimidine.
What is the SMILES notation for 4-bromo-2-ethoxy-6-methylpyrimidine?
The canonical SMILES for 4-bromo-2-ethoxy-6-methylpyrimidine is CCOc1nc(C)cc(Br)n1.
What is the InChIKey of 4-bromo-2-ethoxy-6-methylpyrimidine?
The InChIKey is ZIFLLLZPHNIAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c1-3-11-7-9-5(2)4-6(8)10-7/h4H,3H2,1-2H3.
What are the key properties of 4-bromo-2-ethoxy-6-methylpyrimidine?
4-bromo-2-ethoxy-6-methylpyrimidine has a molecular weight of 217.07 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethoxy-6-methylpyrimidine is sourced from PubChem (CID 115029853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).