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[6-(4-Amino-benzyl)-pyrimidin-4-yl]-methyl-amine

HCID 58659440
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CNc1cc(Cc2ccc(N)cc2)ncn1
InChIKey
AHNUZJCGYOAJJP-UHFFFAOYSA-N
Molecular formula
C12H14N4
Average molar mass
214.27 g/mol

Names & identifiers

Preferred name
[6-(4-Amino-benzyl)-pyrimidin-4-yl]-methyl-amine
IUPAC
6-[(4-aminophenyl)methyl]-N-methylpyrimidin-4-amine

Names & synonyms

SCHEMBL3176128AHNUZJCGYOAJJP-UHFFFAOYSA-N630125-80-3DB-118538[6-(4-Amino-benzyl)-pyrimidin-4-yl]-methyl-amine

Database identifiers

PubChem CID
58659440

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
63.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
201

Related reactions

2 records
New reaction record
HRID 810429 reaction equation
HRID 810429As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1993557 reaction equation
HRID 1993557As productuspto-grants-2010_01

Compound notes

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