5-bromo-2-methoxy-4-methylpyrimidine

C6H7BrN2O — CID 51401365

IUPAC5-bromo-2-methoxy-4-methylpyrimidine
SMILESCOc1ncc(Br)c(C)n1
InChIInChI=1S/C6H7BrN2O/c1-4-5(7)3-8-6(9-4)10-2/h3H,1-2H3
InChIKeyNQYSLCWSLFWCEX-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.56
Rot. Bonds1

About 5-bromo-2-methoxy-4-methylpyrimidine

5-bromo-2-methoxy-4-methylpyrimidine (PubChem CID 51401365) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 5-bromo-2-methoxy-4-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-methoxy-4-methylpyrimidine
PubChem CID51401365
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name5-bromo-2-methoxy-4-methylpyrimidine
SMILESCOc1ncc(Br)c(C)n1
InChIInChI=1S/C6H7BrN2O/c1-4-5(7)3-8-6(9-4)10-2/h3H,1-2H3
InChIKeyNQYSLCWSLFWCEX-UHFFFAOYSA-N
XLogP1.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-4-methylpyrimidine?
The IUPAC name of 5-bromo-2-methoxy-4-methylpyrimidine (CID 51401365) is 5-bromo-2-methoxy-4-methylpyrimidine.
What is the SMILES notation for 5-bromo-2-methoxy-4-methylpyrimidine?
The canonical SMILES for 5-bromo-2-methoxy-4-methylpyrimidine is COc1ncc(Br)c(C)n1.
What is the InChIKey of 5-bromo-2-methoxy-4-methylpyrimidine?
The InChIKey is NQYSLCWSLFWCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-4-5(7)3-8-6(9-4)10-2/h3H,1-2H3.
What are the key properties of 5-bromo-2-methoxy-4-methylpyrimidine?
5-bromo-2-methoxy-4-methylpyrimidine has a molecular weight of 203.04 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-4-methylpyrimidine is sourced from PubChem (CID 51401365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).