Diethyl N-[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]-L-glutamate

HCID 12908481

Basic information

CAS
80360-08-3
Standard SMILES
CCOC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3c2)cc1)C(=O)OCC
InChIKey
ZFWPBCDEDNIZTL-SFHVURJKSA-N
Molecular formula
C24H29N7O5
Average molar mass
495.5 g/mol
Monoisotopic mass
495.22301705

Names & identifiers

Preferred name
Diethyl N-[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]-L-glutamate
IUPAC
diethyl (2S)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioate

Names & synonyms

SCHEMBL10688663ZFWPBCDEDNIZTL-SFHVURJKSA-NDiethyl N-[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]-L-glutamateDiethyl N-[4-[(2,4-diaminopyrido[2,3-d]pyrimidine-6-yl)methylamino]benzoyl]-L-glutamate

Database identifiers

CAS
80360-08-3
PubChem CID
12908481

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
184 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
11
Rotatable bonds
13
Heavy atoms
36

Related reactions

7 records

Compound notes

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