Ethyl 2-(5-bromo-3-((tetrahydro-2H-pyran-4-yl)methylamino)pyrazin-2-ylamino)acetate

HCID 86644641
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)CNc1ncc(Br)nc1NCC1CCOCC1
InChIKey
IFTPOAIAIUKDIR-UHFFFAOYSA-N
Molecular formula
C14H21BrN4O3
Average molar mass
373.25 g/mol

Names & identifiers

Preferred name
Ethyl 2-(5-bromo-3-((tetrahydro-2H-pyran-4-yl)methylamino)pyrazin-2-ylamino)acetate
IUPAC
ethyl 2-[[5-bromo-3-(oxan-4-ylmethylamino)pyrazin-2-yl]amino]acetate

Names & synonyms

SCHEMBL153645IFTPOAIAIUKDIR-UHFFFAOYSA-NEthyl 2-(5-bromo-3-((tetrahydro-2H-pyran-4-yl)methylamino)pyrazin-2-ylamino)acetate

Database identifiers

PubChem CID
86644641

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
85.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
22

Related reactions

13 records
New reaction record

Compound notes

Loading…