8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one

HCID 5330227

Notes Reactions

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Basic information

Standard SMILES: CCC(C)n1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIKey: JKLHWLBKGBOQKG-UHFFFAOYSA-N
Molecular formula: C17H18N4O
Average molar mass: 294.35 g/mol

Names & identifiers

Preferred name: 8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
IUPAC: 2-anilino-8-butan-2-ylpyrido[2,3-d]pyrimidin-7-one

Names & synonyms

8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-oneN8 Pyrido[2,3-d]pyrimidin-7-one deriv. 41BDBM6249CHEMBL343119SCHEMBL5264058JKLHWLBKGBOQKG-UHFFFAOYSA-NDB-1704548-(Sec-butyl)-2-(phenylamino)pyrido[2,3-d]pyrimidin-7(8h)-one8-(butan-2-yl)-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one211245-46-4

Database identifiers

PubChem CID: 5330227
ChEMBL: CHEMBL343119

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 58.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 419

Related reactions

2 records

New reaction record

HRID 286479As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 2300074As productuspto-grants-2002_12

Compound notes

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