methyl-[9-(4-nitrophenyl)-9H-purin-6-yl]amine

HCID 23155308
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Basic information

Standard SMILES
CNc1ncnc2c1ncn2-c1ccc([N+](=O)[O-])cc1
InChIKey
NRKKEGXSEDKDPU-UHFFFAOYSA-N
Molecular formula
C12H10N6O2
Average molar mass
270.25 g/mol
Monoisotopic mass
270.08652358

Names & identifiers

Preferred name
methyl-[9-(4-nitrophenyl)-9H-purin-6-yl]amine
IUPAC
N-methyl-9-(4-nitrophenyl)purin-6-amine

Names & synonyms

SCHEMBL5112127NRKKEGXSEDKDPU-UHFFFAOYSA-Nmethyl-[9-(4-nitrophenyl)-9H-purin-6-yl]amine

Database identifiers

PubChem CID
23155308

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
20

Related reactions

4 records
New reaction record

Compound notes

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