Basic information
- CAS
13794-63-3- Standard SMILES
Nc1nc(N)c2cc(NCc3ccc(F)cc3)ccc2n1- InChIKey
LLPJTTAFJBKQEQ-UHFFFAOYSA-N- Molecular formula
- C15H14FN5
- Average molar mass
- 283.3 g/mol
- Monoisotopic mass
- 283.12332363
Names & identifiers
- Preferred name
- 6-N-[(4-fluorophenyl)methyl]quinazoline-2,4,6-triamine
- IUPAC
- 6-N-[(4-fluorophenyl)methyl]quinazoline-2,4,6-triamine
Names & synonyms
13794-63-3NSC156247CHEMBL174096DTXSID40929948NSC-156247N-[(4-Fluorophenyl)methyl]-2,4-diimino-1,2,3,4-tetrahydroquinazolin-6-amine
Database identifiers
- CAS
13794-63-3- PubChem CID
- 291271
- DTXSID
DTXSID40929948- ChEMBL
CHEMBL174096
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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