N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine

HCID 6326418

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Clc1ccc(Nc2nnc(Cc3ccncn3)c3ccccc23)cc1
InChIKey: QGCUYXCPMZGMFQ-UHFFFAOYSA-N
Molecular formula: C19H14ClN5
Average molar mass: 347.8 g/mol

Names & identifiers

Preferred name: N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine
IUPAC: N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine

Names & synonyms

BDBM4857CHEMBL419458SCHEMBL6608914QGCUYXCPMZGMFQ-UHFFFAOYSA-NN-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine1-(4-Chloroanilino)-4-(4-pyrimidylmethyl)phthalazine1-(4-Chloroanilino)-4-(4-pyrimidinylmethyl)phthalazine

Database identifiers

PubChem CID: 6326418
ChEMBL: CHEMBL419458
Nikkaji: J1.368.833H

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 25
Formal charge: 0
Complexity: 415

Related reactions

5 records

New reaction record

HRID 49900As productuspto-grants-2004_03

HRID 957471As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1057718As productuspto-grants-2003_02

HRID 1215291As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1384142As productuspto-grants-2001_07

Compound notes

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