Basic information
- Standard SMILES
Nc1nc(N)c2c(CN(c3ccccc3)c3ccccc3)coc2n1- InChIKey
PLAQLHXSGNNOPE-UHFFFAOYSA-N- Molecular formula
- C19H17N5O
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.14331018
Names & identifiers
- Preferred name
- n-[(2,4-Diaminofuro[2,3-d]pyrimidin-5-yl)methyl]-n,n-diphenylamine
- IUPAC
- 5-[(N-phenylanilino)methyl]furo[2,3-d]pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL5861670PLAQLHXSGNNOPE-UHFFFAOYSA-Nn-[(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)methyl]-n,n-diphenylamine
Database identifiers
- PubChem CID
- 9818937
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 406
Related reactions
4 records
Compound notes
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