5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine

C12H10Br2N2 — CID 63873636

IUPAC5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine
SMILESBrc1cnc(CC(Br)c2ccccc2)nc1
InChIInChI=1S/C12H10Br2N2/c13-10-7-15-12(16-8-10)6-11(14)9-4-2-1-3-5-9/h1-5,7-8,11H,6H2
InChIKeyXHFXECUUFLHWNM-UHFFFAOYSA-N
MW342.03 g/mol
LogP3.92
Rot. Bonds3

About 5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine

5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine (PubChem CID 63873636) has the molecular formula C12H10Br2N2 and a molecular weight of 342.03 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine
PubChem CID63873636
Molecular FormulaC12H10Br2N2
Molecular Weight342.03 g/mol
Exact Mass339.92
IUPAC Name5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine
SMILESBrc1cnc(CC(Br)c2ccccc2)nc1
InChIInChI=1S/C12H10Br2N2/c13-10-7-15-12(16-8-10)6-11(14)9-4-2-1-3-5-9/h1-5,7-8,11H,6H2
InChIKeyXHFXECUUFLHWNM-UHFFFAOYSA-N
XLogP3.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.03
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine?
The IUPAC name of 5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine (CID 63873636) is 5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine?
The canonical SMILES for 5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine is Brc1cnc(CC(Br)c2ccccc2)nc1.
What is the InChIKey of 5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine?
The InChIKey is XHFXECUUFLHWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2/c13-10-7-15-12(16-8-10)6-11(14)9-4-2-1-3-5-9/h1-5,7-8,11H,6H2.
What are the key properties of 5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine?
5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine has a molecular weight of 342.03 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine is sourced from PubChem (CID 63873636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).