5-bromo-4,6-dimethoxy-2-methylpyrimidine

C7H9BrN2O2 — CID 45117354

IUPAC5-bromo-4,6-dimethoxy-2-methylpyrimidine
SMILESCOc1nc(C)nc(OC)c1Br
InChIInChI=1S/C7H9BrN2O2/c1-4-9-6(11-2)5(8)7(10-4)12-3/h1-3H3
InChIKeyUSLDVVGZERSQBM-UHFFFAOYSA-N
MW233.06 g/mol
LogP1.56
Rot. Bonds2

About 5-bromo-4,6-dimethoxy-2-methylpyrimidine

5-bromo-4,6-dimethoxy-2-methylpyrimidine (PubChem CID 45117354) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 5-bromo-4,6-dimethoxy-2-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-4,6-dimethoxy-2-methylpyrimidine
PubChem CID45117354
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name5-bromo-4,6-dimethoxy-2-methylpyrimidine
SMILESCOc1nc(C)nc(OC)c1Br
InChIInChI=1S/C7H9BrN2O2/c1-4-9-6(11-2)5(8)7(10-4)12-3/h1-3H3
InChIKeyUSLDVVGZERSQBM-UHFFFAOYSA-N
XLogP1.56
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dimethoxy-2-methylpyrimidine?
The IUPAC name of 5-bromo-4,6-dimethoxy-2-methylpyrimidine (CID 45117354) is 5-bromo-4,6-dimethoxy-2-methylpyrimidine.
What is the SMILES notation for 5-bromo-4,6-dimethoxy-2-methylpyrimidine?
The canonical SMILES for 5-bromo-4,6-dimethoxy-2-methylpyrimidine is COc1nc(C)nc(OC)c1Br.
What is the InChIKey of 5-bromo-4,6-dimethoxy-2-methylpyrimidine?
The InChIKey is USLDVVGZERSQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-4-9-6(11-2)5(8)7(10-4)12-3/h1-3H3.
What are the key properties of 5-bromo-4,6-dimethoxy-2-methylpyrimidine?
5-bromo-4,6-dimethoxy-2-methylpyrimidine has a molecular weight of 233.06 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dimethoxy-2-methylpyrimidine is sourced from PubChem (CID 45117354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).