2-Cyclohexylamino-6-(2,6-dichlorophenyl)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one

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Basic information

Standard SMILES: Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NC3CCCCC3)nc21
InChIKey: SPPVVBKDFLCZFT-UHFFFAOYSA-N
Molecular formula: C20H20Cl2N4O
Average molar mass: 403.3 g/mol

Names & identifiers

Preferred name: 2-Cyclohexylamino-6-(2,6-dichlorophenyl)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
IUPAC: 2-(cyclohexylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

Names & synonyms

2-Cyclohexylamino-6-(2,6-dichlorophenyl)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 25BDBM3058CHEMBL113128SCHEMBL5764396SPPVVBKDFLCZFT-UHFFFAOYSA-N2-(cyclohexylamino)-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one

Database identifiers

PubChem CID: 5327872
ChEMBL: CHEMBL113128
Nikkaji: J1.012.550B

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 58.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 570

Related reactions

2 records

New reaction record

HRID 3197As productuspto-grants-1998_03

HRID 2346826As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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