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4-Chloro-2-methyl-6-(tributylstannyl)pyrimidine

HCID 86647045
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cc(Cl)nc(C)n1
InChIKey
TXFYHAAMKVUMEW-UHFFFAOYSA-N
Molecular formula
C17H31ClN2Sn
Average molar mass
417.6 g/mol
Monoisotopic mass
418.119779

Names & identifiers

Preferred name
4-Chloro-2-methyl-6-(tributylstannyl)pyrimidine
IUPAC
tributyl-(6-chloro-2-methylpyrimidin-4-yl)stannane

Names & synonyms

4-chloro-2-methyl-6-(tributylstannyl)pyrimidineSCHEMBL114512TXFYHAAMKVUMEW-UHFFFAOYSA-NDB-2126941253568-65-8

Database identifiers

PubChem CID
86647045

Properties

Computed structural properties

Topological polar surface area
25.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
10
Heavy atoms
21
Formal charge
0
Complexity
254

Related reactions

6 records
New reaction record
HRID 283988 reaction equation
HRID 283988As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1559409 reaction equation
HRID 1559409As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1621365 reaction equation
HRID 1621365As productuspto-grants-2014_07
HRID 1621366 reaction equation
HRID 1621366As reactantuspto-grants-2014_07
HRID 1811777 reaction equation
HRID 1811777As productuspto-grants-2013_01
HRID 1811778 reaction equation
HRID 1811778As reactantuspto-grants-2013_01

Compound notes

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