5-bromo-2-(3-methoxyphenoxy)pyrimidine

C11H9BrN2O2 — CID 63867980

IUPAC5-bromo-2-(3-methoxyphenoxy)pyrimidine
SMILESCOc1cccc(Oc2ncc(Br)cn2)c1
InChIInChI=1S/C11H9BrN2O2/c1-15-9-3-2-4-10(5-9)16-11-13-6-8(12)7-14-11/h2-7H,1H3
InChIKeySJAUCDXSPIMNFX-UHFFFAOYSA-N
MW281.11 g/mol
LogP3.04
Rot. Bonds3

About 5-bromo-2-(3-methoxyphenoxy)pyrimidine

5-bromo-2-(3-methoxyphenoxy)pyrimidine (PubChem CID 63867980) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 5-bromo-2-(3-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(3-methoxyphenoxy)pyrimidine
PubChem CID63867980
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name5-bromo-2-(3-methoxyphenoxy)pyrimidine
SMILESCOc1cccc(Oc2ncc(Br)cn2)c1
InChIInChI=1S/C11H9BrN2O2/c1-15-9-3-2-4-10(5-9)16-11-13-6-8(12)7-14-11/h2-7H,1H3
InChIKeySJAUCDXSPIMNFX-UHFFFAOYSA-N
XLogP3.04
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methoxyphenoxy)pyrimidine?
The IUPAC name of 5-bromo-2-(3-methoxyphenoxy)pyrimidine (CID 63867980) is 5-bromo-2-(3-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 5-bromo-2-(3-methoxyphenoxy)pyrimidine?
The canonical SMILES for 5-bromo-2-(3-methoxyphenoxy)pyrimidine is COc1cccc(Oc2ncc(Br)cn2)c1.
What is the InChIKey of 5-bromo-2-(3-methoxyphenoxy)pyrimidine?
The InChIKey is SJAUCDXSPIMNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-15-9-3-2-4-10(5-9)16-11-13-6-8(12)7-14-11/h2-7H,1H3.
What are the key properties of 5-bromo-2-(3-methoxyphenoxy)pyrimidine?
5-bromo-2-(3-methoxyphenoxy)pyrimidine has a molecular weight of 281.11 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methoxyphenoxy)pyrimidine is sourced from PubChem (CID 63867980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).