(4-Aminomethyl-cyclohexylmethyl)-(4-benzo[b]thiophen-2-yl-pyrimidin-2-yl)-amine

HCID 57720609

Notes Reactions

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Basic information

Standard SMILES: NCC1CCC(CNc2nccc(-c3cc4ccccc4s3)n2)CC1
InChIKey: MWENITABFGJZIJ-UHFFFAOYSA-N
Molecular formula: C20H24N4S
Average molar mass: 352.5 g/mol

Names & identifiers

Preferred name: (4-Aminomethyl-cyclohexylmethyl)-(4-benzo[b]thiophen-2-yl-pyrimidin-2-yl)-amine
IUPAC: N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(1-benzothiophen-2-yl)pyrimidin-2-amine

Names & synonyms

SCHEMBL3969609SCHEMBL13768223MWENITABFGJZIJ-GASCZTMLSA-NMWENITABFGJZIJ-UHFFFAOYSA-N(4-aminomethyl-cyclohexylmethyl)-(4-benzo[b]thiophen-2-yl-pyrimidin-2-yl)-amine[4(cis)-Aminomethylcyclohexylmethyl]-(4-benzo[b]thiophen-2-ylpyrimidin-2-yl)-amine

Database identifiers

PubChem CID: 57720609

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 92.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 413

Related reactions

2 records

New reaction record

HRID 1138439As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2347687As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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