N-[3-chloro-phenyl]-4-[2-(N-{2-amino-ethyl}-aminocarbonyl)-4-pyridyl]-2-pyrimidineamine hydrochloride

HCID 19689567
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Basic information

Standard SMILES
Cl.NCCNC(=O)c1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1
InChIKey
ZSDQNMVSACKAML-UHFFFAOYSA-N
Molecular formula
C18H18Cl2N6O
Average molar mass
405.3 g/mol

Names & identifiers

Preferred name
N-[3-chloro-phenyl]-4-[2-(N-{2-amino-ethyl}-aminocarbonyl)-4-pyridyl]-2-pyrimidineamine hydrochloride
IUPAC
N-(2-aminoethyl)-4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridine-2-carboxamide;hydrochloride

Names & synonyms

SCHEMBL3514073ZSDQNMVSACKAML-UHFFFAOYSA-NN-[3-chloro-phenyl]-4-[2-(N-{2-amino-ethyl}-aminocarbonyl)-4-pyridyl]-2-pyrimidineamine hydrochloride

Database identifiers

PubChem CID
19689567

Properties

Computed structural properties

Topological polar surface area
106 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
27

Related reactions

1 records
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Linked notes

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