5-bromo-4-methoxy-6-methylpyrimidine

C6H7BrN2O — CID 56592978

IUPAC5-bromo-4-methoxy-6-methylpyrimidine
SMILESCOc1ncnc(C)c1Br
InChIInChI=1S/C6H7BrN2O/c1-4-5(7)6(10-2)9-3-8-4/h3H,1-2H3
InChIKeyYDPPNMNAHGZFDJ-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.56
Rot. Bonds1

About 5-bromo-4-methoxy-6-methylpyrimidine

5-bromo-4-methoxy-6-methylpyrimidine (PubChem CID 56592978) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 5-bromo-4-methoxy-6-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-methoxy-6-methylpyrimidine
PubChem CID56592978
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name5-bromo-4-methoxy-6-methylpyrimidine
SMILESCOc1ncnc(C)c1Br
InChIInChI=1S/C6H7BrN2O/c1-4-5(7)6(10-2)9-3-8-4/h3H,1-2H3
InChIKeyYDPPNMNAHGZFDJ-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-4-methoxy-6-methylpyrimidine?
The IUPAC name of 5-bromo-4-methoxy-6-methylpyrimidine (CID 56592978) is 5-bromo-4-methoxy-6-methylpyrimidine.
What is the SMILES notation for 5-bromo-4-methoxy-6-methylpyrimidine?
The canonical SMILES for 5-bromo-4-methoxy-6-methylpyrimidine is COc1ncnc(C)c1Br.
What is the InChIKey of 5-bromo-4-methoxy-6-methylpyrimidine?
The InChIKey is YDPPNMNAHGZFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-4-5(7)6(10-2)9-3-8-4/h3H,1-2H3.
What are the key properties of 5-bromo-4-methoxy-6-methylpyrimidine?
5-bromo-4-methoxy-6-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-4-methoxy-6-methylpyrimidine is sourced from PubChem (CID 56592978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).