N-(3-Amino-propyl)-N-(3-{2-[2-(4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-methanesulfonamide

HCID 59341031
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Basic information

Standard SMILES
CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1
InChIKey
ZNBYAHCWRGGOKR-UHFFFAOYSA-N
Molecular formula
C23H29N5O3S
Average molar mass
455.6 g/mol

Names & identifiers

Preferred name
N-(3-Amino-propyl)-N-(3-{2-[2-(4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-methanesulfonamide
IUPAC
N-(3-aminopropyl)-N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide

Names & synonyms

SCHEMBL1467439ZNBYAHCWRGGOKR-UHFFFAOYSA-NN-(3-Amino-propyl)-N-(3-{2-[2-(4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-methanesulfonamide

Database identifiers

PubChem CID
59341031

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
130 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
11
Heavy atoms
32

Related reactions

29 records
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Linked notes

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