2-(4-bromophenoxy)-4-methylpyrimidine

C11H9BrN2O — CID 62958719

IUPAC2-(4-bromophenoxy)-4-methylpyrimidine
SMILESCc1ccnc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C11H9BrN2O/c1-8-6-7-13-11(14-8)15-10-4-2-9(12)3-5-10/h2-7H,1H3
InChIKeyIBBVEHAXQZJAFG-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.34
Rot. Bonds2

About 2-(4-bromophenoxy)-4-methylpyrimidine

2-(4-bromophenoxy)-4-methylpyrimidine (PubChem CID 62958719) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-4-methylpyrimidine
PubChem CID62958719
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name2-(4-bromophenoxy)-4-methylpyrimidine
SMILESCc1ccnc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C11H9BrN2O/c1-8-6-7-13-11(14-8)15-10-4-2-9(12)3-5-10/h2-7H,1H3
InChIKeyIBBVEHAXQZJAFG-UHFFFAOYSA-N
XLogP3.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 53.34
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-methylpyrimidine?
The IUPAC name of 2-(4-bromophenoxy)-4-methylpyrimidine (CID 62958719) is 2-(4-bromophenoxy)-4-methylpyrimidine.
What is the SMILES notation for 2-(4-bromophenoxy)-4-methylpyrimidine?
The canonical SMILES for 2-(4-bromophenoxy)-4-methylpyrimidine is Cc1ccnc(Oc2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenoxy)-4-methylpyrimidine?
The InChIKey is IBBVEHAXQZJAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-8-6-7-13-11(14-8)15-10-4-2-9(12)3-5-10/h2-7H,1H3.
What are the key properties of 2-(4-bromophenoxy)-4-methylpyrimidine?
2-(4-bromophenoxy)-4-methylpyrimidine has a molecular weight of 265.11 g/mol, XLogP of 3.34, 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-methylpyrimidine is sourced from PubChem (CID 62958719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).