2-(5-Bromo-2-pyrrolidin-1-ylphenyl)-4-(3-methyl-4-pyridylamino)pteridine

HCID 57742370
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Basic information

Standard SMILES
Cc1cnccc1Nc1nc(-c2cc(Br)ccc2N2CCCC2)nc2nccnc12
InChIKey
FWHOLZAEYSBGTK-UHFFFAOYSA-N
Molecular formula
C22H20BrN7
Average molar mass
462.3 g/mol
Monoisotopic mass
461.09636

Names & identifiers

Preferred name
2-(5-Bromo-2-pyrrolidin-1-ylphenyl)-4-(3-methyl-4-pyridylamino)pteridine
IUPAC
2-(5-bromo-2-pyrrolidin-1-ylphenyl)-N-(3-methyl-4-pyridinyl)pteridin-4-amine

Names & synonyms

SCHEMBL2127803FWHOLZAEYSBGTK-UHFFFAOYSA-N2-(5-Bromo-2-pyrrolidin-1-ylphenyl)-4-(3-methyl-4-pyridylamino)pteridine

Database identifiers

PubChem CID
57742370

Properties

Computed structural properties

XLogP
4
Topological polar surface area
79.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
30

Related reactions

1 records
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Compound notes

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