Basic information
- CAS
76532-19-9- Standard SMILES
COc1cc(CN(C)c2cnc3nc(N)nc(N)c3n2)cc(OC)c1OC- InChIKey
CELBJCMHQRKLMG-UHFFFAOYSA-N- Molecular formula
- C17H21N7O3
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.17058756
Names & identifiers
- Preferred name
- N~6~-Methyl-N~6~-[(3,4,5-trimethoxyphenyl)methyl]pteridine-2,4,6-triamine
- IUPAC
- 6-N-methyl-6-N-[(3,4,5-trimethoxyphenyl)methyl]pteridine-2,4,6-triamine
Names & synonyms
76532-19-9NSC289529CHEMBL285236DTXSID10314882N~6~-Methyl-N~6~-[(3,4,5-trimethoxyphenyl)methyl]pteridine-2,4,6-triamineNSC-289529
Database identifiers
- CAS
76532-19-9- PubChem CID
- 324364
- DTXSID
DTXSID10314882- ChEMBL
CHEMBL285236
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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