2-(4-Bromo-3,5-dimethyl-phenyl)-4-methyl-pyrimidine

HCID 86697315

Notes Reactions

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Basic information

Standard SMILES: Cc1ccnc(-c2cc(C)c(Br)c(C)c2)n1
InChIKey: ZNOMLRJYOUOHCU-UHFFFAOYSA-N
Molecular formula: C13H13BrN2
Average molar mass: 277.16 g/mol
Monoisotopic mass: 276.02621

Names & identifiers

Preferred name: 2-(4-Bromo-3,5-dimethyl-phenyl)-4-methyl-pyrimidine
IUPAC: 2-(4-bromo-3,5-dimethylphenyl)-4-methylpyrimidine

Names & synonyms

SCHEMBL15262422ZNOMLRJYOUOHCU-UHFFFAOYSA-NDB-1631582-(4-bromo-3,5-dimethylphenyl)-4-methylpyrimidine2-(4-Bromo-3,5-dimethyl-phenyl)-4-methyl-pyrimidine1458656-11-5

Database identifiers

PubChem CID: 86697315

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 222

Related reactions

2 records

New reaction record

HRID 237642As productuspto-grants-2014_02

HRID 237643As reactantuspto-grants-2014_02

Compound notes

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