Basic information
- CAS
80360-08-3- Standard SMILES
CCOC(=O)CCC(NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3c2)cc1)C(=O)OCC- InChIKey
ZFWPBCDEDNIZTL-UHFFFAOYSA-N- Molecular formula
- C24H29N7O5
- Average molar mass
- 495.5 g/mol
- Monoisotopic mass
- 495.22301703
Names & identifiers
- Preferred name
- Diethyl 2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioate
- IUPAC
- diethyl 2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioate
Names & synonyms
NSC34689080360-08-3CHEMBL442955SCHEMBL14027571DTXSID60319549NSC-346890DS-011322Diethyl N-(4-{[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl]amino}benzoyl)glutamateL-Glutamic acid,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl]amino]benzoyl]-, diethyl esterL-Glutamic acid, N-[4-[[ (2,4-diaminopyrido[2, 3-d]pyrimidin-6-yl)methyl]amino]benzoyl]-, diethyl ester
Database identifiers
- CAS
80360-08-3- PubChem CID
- 335794
- DTXSID
DTXSID60319549- ChEMBL
CHEMBL442955
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
- Formal charge
- 0
- Complexity
- 734
Related reactions
2 records
Compound notes
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