4-(1H-indol-3-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)-5-nitrophenyl]pyrimidin-2-amine

HCID 71240804
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(N2CCN(C)CC2)c([N+](=O)[O-])cc1Nc1nccc(-c2c[nH]c3ccccc23)n1
InChIKey
INTRXMPROOSXAE-UHFFFAOYSA-N
Molecular formula
C24H25N7O3
Average molar mass
459.5 g/mol

Names & identifiers

Preferred name
4-(1H-indol-3-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)-5-nitrophenyl]pyrimidin-2-amine
IUPAC
4-(1H-indol-3-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)-5-nitrophenyl]pyrimidin-2-amine

Names & synonyms

SCHEMBL14663339INTRXMPROOSXAE-UHFFFAOYSA-N1421372-33-9DA-229894-(1H-indol-3-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)-5-nitrophenyl]pyrimidin-2-amine

Database identifiers

PubChem CID
71240804

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
115 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
34

Related reactions

2 records
New reaction record

Compound notes

Loading…