2-{5-Methyl-2-[3-(4-methylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-6-carboxylic acid methyl ester

HCID 68857060

Basic information

Standard SMILES
COC(=O)c1ccc2cc(-c3nc(NCCCN4CCN(C)CC4)ncc3C)sc2c1
InChIKey
MOYOANKQRNLYLF-UHFFFAOYSA-N
Molecular formula
C23H29N5O2S
Average molar mass
439.6 g/mol

Names & identifiers

Preferred name
2-{5-Methyl-2-[3-(4-methylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-6-carboxylic acid methyl ester
IUPAC
methyl 2-[5-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-1-benzothiophene-6-carboxylate

Names & synonyms

SCHEMBL3964488MOYOANKQRNLYLF-UHFFFAOYSA-N2-{5-methyl-2-[3-(4-methylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-6-carboxylic acid methyl ester

Database identifiers

PubChem CID
68857060

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
98.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
31

Related reactions

3 records

Compound notes

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