Basic information
- CAS
76822-62-3- Standard SMILES
CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1- InChIKey
DYMZJKXGRWVXTP-UHFFFAOYSA-N- Molecular formula
- C21H23N7O5
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.17606686
Names & identifiers
- Preferred name
- 2-[[4-[(2,4-Diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
- IUPAC
- 2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Names & synonyms
NSC34424476822-62-3SCHEMBL9892511DTXSID40319365NSC-344244DS-002312L-Glutamic acid,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl]methylamino]benzoyl]-N-(4-{[(2,4-Diaminopyrido[3,2-d]pyrimidin-6-yl)methyl](methyl)amino}benzoyl)glutamic acidL-glutamic acid,n-[4-[[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl]methylamino]benzoyl]-
Database identifiers
- CAS
76822-62-3- PubChem CID
- 335372
- DTXSID
DTXSID40319365
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 702
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…