6-Arylpyrido[2,3-d]pyrimidine deriv. 42

HCID 5328144

Notes Reactions

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Basic information

Standard SMILES: Nc1nc2nc(NCCCN3CCOCC3)ncc2cc1-c1c(Cl)cccc1Cl
InChIKey: QWSXYDHQEJLBGK-UHFFFAOYSA-N
Molecular formula: C20H22Cl2N6O
Average molar mass: 433.3 g/mol

Names & identifiers

Preferred name: 6-Arylpyrido[2,3-d]pyrimidine deriv. 42
IUPAC: 6-(2,6-dichlorophenyl)-2-N-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-2,7-diamine

Names & synonyms

6-arylpyrido[2,3-d]pyrimidine deriv. 42BDBM3460CHEMBL301905SCHEMBL8131785QWSXYDHQEJLBGK-UHFFFAOYSA-N6-(2,6-dichlorophenyl)-2-N-[3-(morpholin-4-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine6-(2,6-Dichlorophenyl)-N2 -(3-morpholin-4-yl-propyl)-pyrido[2,3-d]pyrimidine-2,7-diamine

Database identifiers

PubChem CID: 5328144
ChEMBL: CHEMBL301905

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 89.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 29
Formal charge: 0
Complexity: 501

Related reactions

5 records

New reaction record

HRID 3442As productuspto-grants-1998_03

HRID 3443As reactantuspto-grants-1998_03

HRID 320141As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 617953As productuspto-grants-1999_09

HRID 617954As reactantuspto-grants-1999_09

Compound notes

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