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6-(6-(3-aminophenyl)-3-(4-methoxyphenyl)-1H-indol-1-yl)-N-methylpyrimidin-4-amine

HCID 50992002
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CNc1cc(-n2cc(-c3ccc(OC)cc3)c3ccc(-c4cccc(N)c4)cc32)ncn1
InChIKey
YQNGGEBGCDHXRG-UHFFFAOYSA-N
Molecular formula
C26H23N5O
Average molar mass
421.5 g/mol

Names & identifiers

Preferred name
6-(6-(3-aminophenyl)-3-(4-methoxyphenyl)-1H-indol-1-yl)-N-methylpyrimidin-4-amine
IUPAC
6-[6-(3-aminophenyl)-3-(4-methoxyphenyl)indol-1-yl]-N-methylpyrimidin-4-amine

Names & synonyms

SCHEMBL1226114YQNGGEBGCDHXRG-UHFFFAOYSA-N6-(6-(3-aminophenyl)-3-(4-methoxyphenyl)-1H-indol-1-yl)-N-methylpyrimidin-4-amine

Database identifiers

PubChem CID
50992002

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
78 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Formal charge
0
Complexity
597

Related reactions

9 records
New reaction record
HRID 240867 reaction equation
HRID 240867As productuspto-grants-2014_02
HRID 240868 reaction equation
HRID 240868As reactantuspto-grants-2014_02
HRID 240869 reaction equation
HRID 240869As reactantuspto-grants-2014_02
HRID 813660 reaction equation
HRID 813660As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1113429 reaction equation
HRID 1113429As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1568072 reaction equation
HRID 1568072As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2192275 reaction equation
HRID 2192275As productuspto-grants-2012_12
HRID 2192276 reaction equation
HRID 2192276As reactantuspto-grants-2012_12
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Compound notes

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