Diethyl 2-(4-(3,4-dibromophenylamino)pyrido[3,4-d]pyrimidin-6-ylamino)-2-oxoethylphosphonate

HCID 86668942
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Basic information

Standard SMILES
CCOP(=O)(CC(=O)Nc1cc2c(Nc3ccc(Br)c(Br)c3)ncnc2cn1)OCC
InChIKey
XXHBZUQFOLCTGL-UHFFFAOYSA-N
Molecular formula
C19H20Br2N5O4P
Average molar mass
573.2 g/mol

Names & identifiers

Preferred name
Diethyl 2-(4-(3,4-dibromophenylamino)pyrido[3,4-d]pyrimidin-6-ylamino)-2-oxoethylphosphonate
IUPAC
N-[4-(3,4-dibromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-2-diethoxyphosphorylacetamide

Names & synonyms

SCHEMBL11903241XXHBZUQFOLCTGL-UHFFFAOYSA-Ndiethyl 2-(4-(3,4-dibromophenylamino)pyrido[3,4-d]pyrimidin-6-ylamino)-2-oxoethylphosphonate

Database identifiers

PubChem CID
86668942

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
115 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
31

Related reactions

2 records
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Compound notes

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