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5-(4-Ethoxy-1H-indol-6-ylmethyl)-pyrimidine-2,4-diamine

HCID 22742919
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOc1cc(Cc2cnc(N)nc2N)cc2[nH]ccc12
InChIKey
SJYFYTJQCGSMMU-UHFFFAOYSA-N
Molecular formula
C15H17N5O
Average molar mass
283.33 g/mol

Names & identifiers

Preferred name
5-(4-Ethoxy-1H-indol-6-ylmethyl)-pyrimidine-2,4-diamine
IUPAC
5-[(4-ethoxy-1H-indol-6-yl)methyl]pyrimidine-2,4-diamine

Names & synonyms

SCHEMBL6862840SJYFYTJQCGSMMU-UHFFFAOYSA-N5-(4-Ethoxy-1H-indol-6-ylmethyl)-pyrimidine-2,4-diamine

Database identifiers

PubChem CID
22742919

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
103 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
342

Related reactions

4 records
New reaction record
HRID 48455 reaction equation
HRID 48455As productuspto-grants-2004_03
HRID 48456 reaction equation
HRID 48456As reactantuspto-grants-2004_03
HRID 934840 reaction equation
HRID 934840As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1129225 reaction equation
HRID 1129225As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes