1-(2-(2-(5-Chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl)ethyl)phenyl)cyclopropanecarboxamide

HCID 73296574

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Basic information

Standard SMILES: NC(=O)C1(c2ccccc2CCc2nc(Nc3cncnc3)ncc2Cl)CC1
InChIKey: OZGDLMQYSZELNV-UHFFFAOYSA-N
Molecular formula: C20H19ClN6O
Average molar mass: 394.9 g/mol
Monoisotopic mass: 394.1308869

Names & identifiers

Preferred name: 1-(2-(2-(5-Chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl)ethyl)phenyl)cyclopropanecarboxamide
IUPAC: 1-[2-[2-[5-chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide

Names & synonyms

CHEMBL3970850SCHEMBL15506611OZGDLMQYSZELNV-UHFFFAOYSA-NBDBM202405US9238644, 121-(2-(2-(5-Chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl)ethyl)phenyl)cyclopropanecarboxamide

Database identifiers

PubChem CID: 73296574
ChEMBL: CHEMBL3970850

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 107 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 28
Formal charge: 0
Complexity: 539

Related reactions

1 records

New reaction record

HRID 592385As productuspto-grants-2016_01

Compound notes

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