2-(2,4-dibromophenoxy)-4,6-dimethylpyrimidine

C12H10Br2N2O — CID 978796

IUPAC2-(2,4-dibromophenoxy)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Oc2ccc(Br)cc2Br)n1
InChIInChI=1S/C12H10Br2N2O/c1-7-5-8(2)16-12(15-7)17-11-4-3-9(13)6-10(11)14/h3-6H,1-2H3
InChIKeyQIEUINGFNXXFDF-UHFFFAOYSA-N
MW358.03 g/mol
LogP4.41
Rot. Bonds2

About 2-(2,4-dibromophenoxy)-4,6-dimethylpyrimidine

2-(2,4-dibromophenoxy)-4,6-dimethylpyrimidine (PubChem CID 978796) has the molecular formula C12H10Br2N2O and a molecular weight of 358.03 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-4,6-dimethylpyrimidine
PubChem CID978796
Molecular FormulaC12H10Br2N2O
Molecular Weight358.03 g/mol
Exact Mass355.92
IUPAC Name2-(2,4-dibromophenoxy)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Oc2ccc(Br)cc2Br)n1
InChIInChI=1S/C12H10Br2N2O/c1-7-5-8(2)16-12(15-7)17-11-4-3-9(13)6-10(11)14/h3-6H,1-2H3
InChIKeyQIEUINGFNXXFDF-UHFFFAOYSA-N
XLogP4.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.03
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(2,4-dibromophenoxy)-4,6-dimethylpyrimidine (CID 978796) is 2-(2,4-dibromophenoxy)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(2,4-dibromophenoxy)-4,6-dimethylpyrimidine is Cc1cc(C)nc(Oc2ccc(Br)cc2Br)n1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-4,6-dimethylpyrimidine?
The InChIKey is QIEUINGFNXXFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O/c1-7-5-8(2)16-12(15-7)17-11-4-3-9(13)6-10(11)14/h3-6H,1-2H3.
What are the key properties of 2-(2,4-dibromophenoxy)-4,6-dimethylpyrimidine?
2-(2,4-dibromophenoxy)-4,6-dimethylpyrimidine has a molecular weight of 358.03 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-4,6-dimethylpyrimidine is sourced from PubChem (CID 978796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).