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2-(4-Penten-1-yl)-4-phenylpyrimidine

HCID 57856487
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C=CCCCc1nccc(-c2ccccc2)n1
InChIKey
VMLXMLYXAMIJFT-UHFFFAOYSA-N
Molecular formula
C15H16N2
Average molar mass
224.3 g/mol

Names & identifiers

Preferred name
2-(4-Penten-1-yl)-4-phenylpyrimidine
IUPAC
2-pent-4-enyl-4-phenylpyrimidine

Names & synonyms

SCHEMBL3554323VMLXMLYXAMIJFT-UHFFFAOYSA-N2-(4-penten-1-yl)-4-phenylpyrimidine

Database identifiers

PubChem CID
57856487

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
25.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
17
Formal charge
0
Complexity
221

Related reactions

3 records
New reaction record
HRID 19662 reaction equation
HRID 19662As productuspto-grants-2010_06
HRID 19663 reaction equation
HRID 19663As reactantuspto-grants-2010_06
HRID 1126731 reaction equation
HRID 1126731As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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