5-bromo-2-(phenoxymethoxy)pyrimidine

C11H9BrN2O2 — CID 15681705

IUPAC5-bromo-2-(phenoxymethoxy)pyrimidine
SMILESBrc1cnc(OCOc2ccccc2)nc1
InChIInChI=1S/C11H9BrN2O2/c12-9-6-13-11(14-7-9)16-8-15-10-4-2-1-3-5-10/h1-7H,8H2
InChIKeyIRLYKNQJNKCHEF-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.65
Rot. Bonds4

About 5-bromo-2-(phenoxymethoxy)pyrimidine

5-bromo-2-(phenoxymethoxy)pyrimidine (PubChem CID 15681705) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 5-bromo-2-(phenoxymethoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(phenoxymethoxy)pyrimidine
PubChem CID15681705
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name5-bromo-2-(phenoxymethoxy)pyrimidine
SMILESBrc1cnc(OCOc2ccccc2)nc1
InChIInChI=1S/C11H9BrN2O2/c12-9-6-13-11(14-7-9)16-8-15-10-4-2-1-3-5-10/h1-7H,8H2
InChIKeyIRLYKNQJNKCHEF-UHFFFAOYSA-N
XLogP2.65
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(phenoxymethoxy)pyrimidine?
The IUPAC name of 5-bromo-2-(phenoxymethoxy)pyrimidine (CID 15681705) is 5-bromo-2-(phenoxymethoxy)pyrimidine.
What is the SMILES notation for 5-bromo-2-(phenoxymethoxy)pyrimidine?
The canonical SMILES for 5-bromo-2-(phenoxymethoxy)pyrimidine is Brc1cnc(OCOc2ccccc2)nc1.
What is the InChIKey of 5-bromo-2-(phenoxymethoxy)pyrimidine?
The InChIKey is IRLYKNQJNKCHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c12-9-6-13-11(14-7-9)16-8-15-10-4-2-1-3-5-10/h1-7H,8H2.
What are the key properties of 5-bromo-2-(phenoxymethoxy)pyrimidine?
5-bromo-2-(phenoxymethoxy)pyrimidine has a molecular weight of 281.11 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(phenoxymethoxy)pyrimidine is sourced from PubChem (CID 15681705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).