Basic information
- CAS
5346-63-4- Standard SMILES
Cn1ncc2c(Nc3ccccc3)nc(Nc3ccccc3)nc21- InChIKey
FWWWCRNPDBSXOM-UHFFFAOYSA-N- Molecular formula
- C18H16N6
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.14364454
Names & identifiers
- Preferred name
- 1-Methyl-n,n'-diphenyl-1h-pyrazolo[3,4-d]pyrimidine-4,6-diamine
- IUPAC
- 1-methyl-4-N,6-N-diphenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
Names & synonyms
1-methyl-n,n'-diphenyl-1h-pyrazolo[3,4-d]pyrimidine-4,6-diamine5346-63-4NSC1656DTXSID80277319NSC-1656AKOS002304145ST50769556[1-methyl-6-(phenylamino)pyrazolo[4,5-e]pyrimidin-4-yl]phenylamine1-Methyl-N~4~,N~6~-diphenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Database identifiers
- CAS
5346-63-4- PubChem CID
- 219876
- DTXSID
DTXSID80277319
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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