3-(3-Chloro-4-methoxy-benzylamino)-4-(3-chloro-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine

HCID 19610550
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Basic information

Standard SMILES
COc1ccc(CNc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)cc1Cl
InChIKey
ACVJIYNVHRDMGK-UHFFFAOYSA-N
Molecular formula
C19H16Cl2N6O
Average molar mass
415.3 g/mol
Monoisotopic mass
414.0762645

Names & identifiers

Preferred name
3-(3-Chloro-4-methoxy-benzylamino)-4-(3-chloro-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine
IUPAC
3-N-[(3-chloro-4-methoxyphenyl)methyl]-4-N-(3-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine

Names & synonyms

SCHEMBL8122886ACVJIYNVHRDMGK-UHFFFAOYSA-N3-(3-Chloro-4-methoxy-benzylamino)-4-(3-chloro-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine

Database identifiers

PubChem CID
19610550

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
87.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

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