2-Butyl-4-chloro-6-methylpyrimidine

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Basic information

Standard SMILES: CCCCc1nc(C)cc(Cl)n1
InChIKey: ZABXIGOEVXQQTD-UHFFFAOYSA-N
Molecular formula: C9H13ClN2
Average molar mass: 184.66 g/mol
Monoisotopic mass: 184.0767261

Names & identifiers

Preferred name: 2-Butyl-4-chloro-6-methylpyrimidine
IUPAC: 2-butyl-4-chloro-6-methylpyrimidine

Names & synonyms

2-Butyl-4-chloro-6-methylpyrimidine848499-42-32-Butyl-4-chloro-6-methyl-pyrimidineSCHEMBL3281802ZABXIGOEVXQQTD-UHFFFAOYSA-NYIB499424-chloro-2-butyl-6-methylpyrimidineAKOS000284091DB-313841CS-0233219EN300-131807Z274575736

Database identifiers

PubChem CID: 17606408

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 130

Related reactions

6 records

New reaction record

HRID 95310As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 943194As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1113973As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2233884As reactantuspto-grants-2010_05

HRID 2372855As productuspto-grants-1992_03

HRID 2372856As reactantuspto-grants-1992_03

Compound notes

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