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

C12H11BrN2O — CID 734495

IUPAC2-(4-bromophenoxy)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C12H11BrN2O/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,1-2H3
InChIKeyQYFRKZAKLVYJAJ-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.65
Rot. Bonds2

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

2-(4-bromophenoxy)-4,6-dimethylpyrimidine (PubChem CID 734495) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-4,6-dimethylpyrimidine
PubChem CID734495
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name2-(4-bromophenoxy)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C12H11BrN2O/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,1-2H3
InChIKeyQYFRKZAKLVYJAJ-UHFFFAOYSA-N
XLogP3.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(4-bromophenoxy)-4,6-dimethylpyrimidine (CID 734495) is 2-(4-bromophenoxy)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(4-bromophenoxy)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(4-bromophenoxy)-4,6-dimethylpyrimidine is Cc1cc(C)nc(Oc2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenoxy)-4,6-dimethylpyrimidine?
The InChIKey is QYFRKZAKLVYJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,1-2H3.
What are the key properties of 2-(4-bromophenoxy)-4,6-dimethylpyrimidine?
2-(4-bromophenoxy)-4,6-dimethylpyrimidine has a molecular weight of 279.14 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-4,6-dimethylpyrimidine is sourced from PubChem (CID 734495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).