4-[2-(2,4-diamino-7H-pyrrolo [2,3-d]pyrimidin-5-yl)ethyl]benzoic acid

HCID 10447331
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Basic information

Standard SMILES
Nc1nc(N)c2c(CCc3ccc(C(=O)O)cc3)c[nH]c2n1
InChIKey
LYDPRAUTBLAGMK-UHFFFAOYSA-N
Molecular formula
C15H15N5O2
Average molar mass
297.31 g/mol

Names & identifiers

Preferred name
4-[2-(2,4-diamino-7H-pyrrolo [2,3-d]pyrimidin-5-yl)ethyl]benzoic acid
IUPAC
4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid

Names & synonyms

SCHEMBL8802138LYDPRAUTBLAGMK-UHFFFAOYSA-N4-[2-(2,4-diamino-7H-pyrrolo [2,3-d]pyrimidin-5-yl)ethyl]benzoic acid

Database identifiers

PubChem CID
10447331
Nikkaji
J694.380B

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
131 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
22

Related reactions

1 records
New reaction record

Linked notes

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