5-chloro-N-[4-(3-dimethylaminoazetidin-1-yl)-2-methoxy-5-nitrophenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amine

HCID 71240824
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(N2CC(N(C)C)C2)c([N+](=O)[O-])cc1Nc1ncc(Cl)c(-c2cn(C)c3ccccc23)n1
InChIKey
GPWWNHHWKGIDMK-UHFFFAOYSA-N
Molecular formula
C25H26ClN7O3
Average molar mass
508 g/mol

Names & identifiers

Preferred name
5-chloro-N-[4-(3-dimethylaminoazetidin-1-yl)-2-methoxy-5-nitrophenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amine
IUPAC
5-chloro-N-[4-[3-(dimethylamino)azetidin-1-yl]-2-methoxy-5-nitrophenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amine

Names & synonyms

SCHEMBL14663366GPWWNHHWKGIDMK-UHFFFAOYSA-N5-chloro-N-[4-(3-dimethylaminoazetidin-1-yl)-2-methoxy-5-nitrophenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amine

Database identifiers

PubChem CID
71240824

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
104 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
36

Related reactions

2 records
New reaction record

Compound notes

Loading…