N-(3-amino-2,2-dimethylpropyl)-2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine

HCID 86636615
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Basic information

Standard SMILES
CC(C)(CN)CNc1nc(Cl)nc2[nH]ccc12
InChIKey
HOKZVAGJXDDFRV-UHFFFAOYSA-N
Molecular formula
C11H16ClN5
Average molar mass
253.73 g/mol

Names & identifiers

Preferred name
N-(3-amino-2,2-dimethylpropyl)-2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC
N'-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine

Names & synonyms

SCHEMBL1020659HOKZVAGJXDDFRV-UHFFFAOYSA-NN-(3-amino-2,2-dimethylpropyl)-2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Database identifiers

PubChem CID
86636615

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
79.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
17

Related reactions

6 records
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Compound notes

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