2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 42

HCID 5327889

Notes Reactions

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Basic information

Standard SMILES: Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccncc3)nc21
InChIKey: YOKSFKATMBKCHB-UHFFFAOYSA-N
Molecular formula: C19H13Cl2N5O
Average molar mass: 398.2 g/mol

Names & identifiers

Preferred name: 2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 42
IUPAC: 6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

Names & synonyms

2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 42SCHEMBL868353BDBM3075CHEMBL104779YOKSFKATMBKCHB-UHFFFAOYSA-NDB-1967626-(2,6-Dichlorophenyl)-8-methyl-2-(4-pyridinylamino)-pyrido[2,3-d]pyrimidin-7(8h)-one6-(2,6-dichlorophenyl)-8-methyl-2-(4-pyridinylamino)pyrido[2,3-d]pyrimidin-7(8H)-one6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-4-ylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one185039-67-2

Database identifiers

PubChem CID: 5327889
ChEMBL: CHEMBL104779

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 71 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 572

Related reactions

2 records

New reaction record

HRID 803924As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1520734As reactantuspto-grants-2015_07

Compound notes

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