Basic information
- CAS
68352-96-5- Standard SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NCCCC(=O)O)cc1- InChIKey
LHEGWARMFBUJMD-UHFFFAOYSA-N- Molecular formula
- C19H22N8O3
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.18148659
Names & identifiers
- Preferred name
- Butyric acid, 4-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzamido)-
- IUPAC
- 4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoic acid
Names & synonyms
68352-96-5Butyric acid, 4-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzamido)-DTXSID202184884-((4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)amino)butanoic acid4-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzamido)butyric acidButanoic acid, 4-((4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)amino)-RefChem:331314DTXCID40140979NSC694484CHEMBL1971974SCHEMBL10079668SCHEMBL21993478
Show more names
NSC-694484NCI60_0338124-[N-(4-amino-4-deoxy-N10-methylpteroyl)aminobutanoic acid4-(4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzamido)butanoic acid
Database identifiers
- CAS
68352-96-5- PubChem CID
- 393099
- DTXSID
DTXSID20218488- ChEMBL
CHEMBL1971974- Nikkaji
- J77.586J
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 586
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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