2-[[4-[(2,4-Diaminopyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Basic information
- CAS
76807-63-1- Standard SMILES
Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)ccc2n1- InChIKey
FFNKBHOXODTCMK-UHFFFAOYSA-N- Molecular formula
- C20H21N7O5
- Average molar mass
- 439.4 g/mol
- Monoisotopic mass
- 439.1604168
Names & identifiers
- Preferred name
- 2-[[4-[(2,4-Diaminopyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
- IUPAC
- 2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Names & synonyms
NSC34424376807-63-1DTXSID80319364NSC-344243PD082370L-Glutamic acid,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl]amino]benzoyl]-N-(4-{[(2,4-Diaminopyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzoyl)glutamic acid
Database identifiers
- CAS
76807-63-1- PubChem CID
- 335371
- DTXSID
DTXSID80319364
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 206 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 673
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Compound notes
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