Basic information
- Standard SMILES
CN(C)C=Nc1nc(N=CN(C)C)c2nc(-c3ccccc3Cl)c(N=CN(C)C)nc2n1- InChIKey
ZNACIRHUVMULRW-UHFFFAOYSA-N- Molecular formula
- C21H25ClN10
- Average molar mass
- 452.9 g/mol
Names & identifiers
- Preferred name
- 2,4,7-Tri(dimethylaminomethyleneamino)-6-(2-chlorophenyl)pteridine
- IUPAC
- N'-[6-(2-chlorophenyl)-2,4-bis(dimethylaminomethylideneamino)pteridin-7-yl]-N,N-dimethylmethanimidamide
Names & synonyms
SCHEMBL8897182SCHEMBL8897187ZNACIRHUVMULRW-UHFFFAOYSA-N2,4,7-TRI(DIMETHYLAMINOMETHYLENEAMINO)-6-(2-CHLOROPHENYL)PTERIDINE
Database identifiers
- PubChem CID
- 54555708
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 667
Related reactions
2 records
Compound notes
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