2-Amino-5-{[4-(4-amino-benzyl)-phenylamino]-methyl}-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one

HCID 136050867
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Basic information

Standard SMILES
Nc1ccc(Cc2ccc(NCc3c[nH]c4nc(N)[nH]c(=O)c34)cc2)cc1
InChIKey
OKMAWMCKGBVHBB-UHFFFAOYSA-N
Molecular formula
C20H20N6O
Average molar mass
360.4 g/mol

Names & identifiers

Preferred name
2-Amino-5-{[4-(4-amino-benzyl)-phenylamino]-methyl}-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
IUPAC
2-amino-5-[[4-[(4-aminophenyl)methyl]anilino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

Names & synonyms

SCHEMBL7162071OKMAWMCKGBVHBB-UHFFFAOYSA-N2-amino-5-{[4-(4-amino-benzyl)-phenylamino]-methyl}-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one

Database identifiers

PubChem CID
136050867

Properties

Computed structural properties

XLogP
2
Topological polar surface area
121 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
27

Related reactions

5 records
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Linked notes

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