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4-[2-(p-Aminophenyl)-ethenyl]-2-aminopyrimidine

HCID 53859042
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc(C=Cc2ccnc(N)n2)cc1
InChIKey
GVEQHEODDVKWLL-UHFFFAOYSA-N
Molecular formula
C12H12N4
Average molar mass
212.25 g/mol

Names & identifiers

Preferred name
4-[2-(p-Aminophenyl)-ethenyl]-2-aminopyrimidine
IUPAC
4-[2-(4-aminophenyl)ethenyl]pyrimidin-2-amine

Names & synonyms

SCHEMBL10495653GVEQHEODDVKWLL-UHFFFAOYSA-N4-[2-(p-aminophenyl)-ethenyl]-2-aminopyrimidine

Database identifiers

PubChem CID
53859042

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
77.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
233

Related reactions

4 records
New reaction record
HRID 476873 reaction equation
HRID 476873As productuspto-grants-1989_12
HRID 2118953 reaction equation
HRID 2118953As productuspto-grants-1987_07
HRID 2153173 reaction equation
HRID 2153173As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2232277 reaction equation
HRID 2232277As productuspto-grants-1988_11

Compound notes

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