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8-Amino-2,6-dichloro-7-methylpurine

HCID 15067720
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Basic information

Standard SMILES
Cn1c(N)nc2nc(Cl)nc(Cl)c21
InChIKey
CYKNADPAQJGERZ-UHFFFAOYSA-N
Molecular formula
C6H5Cl2N5
Average molar mass
218.04 g/mol

Names & identifiers

Preferred name
8-Amino-2,6-dichloro-7-methylpurine
IUPAC
2,6-dichloro-7-methylpurin-8-amine

Names & synonyms

SCHEMBL9385930CYKNADPAQJGERZ-UHFFFAOYSA-N7-Methyl-8-amino-2.6-dichlorpurin8-amino-2,6-dichloro-7-methylpurine

Database identifiers

PubChem CID
15067720

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
69.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
13
Formal charge
0
Complexity
203

Related reactions

2 records
New reaction record
HRID 178908 reaction equation
HRID 178908As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1681311 reaction equation
HRID 1681311As reactantuspto-grants-1992_12

Compound notes

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