Sampirtine
Basic information
- CAS
115911-28-9- Standard SMILES
Nc1ccc(Cc2ccc(F)cc2)c(N)n1- InChIKey
DUMKNGZKVPFVAR-UHFFFAOYSA-N- Molecular formula
- C12H12FN3
- Average molar mass
- 217.24 g/mol
- Monoisotopic mass
- 217.10152556
Overview
Sampirtine is a small molecule drug. Sampirtine has a monoisotopic molecular weight of 217.1 Da.
Names & identifiers
- Preferred name
- Sampirtine
- IUPAC
- 3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine
- English name
- Sampirtine
- Molecular formula
- C12H12FN3
- Molecular weight
- 217.24
Names & synonyms
SampirtineSampirtine [INN]115911-28-9sampirtinaUNII-9684V5J83L9684V5J83LDTXSID20151225sampirtinumRefChem:181108DTXCID80737163-[(4-fluorophenyl)methyl]pyridine-2,6-diamineSCHEMBL1230637
Show more names
2,6-Pyridinediamine, 3-[(4-fluorophenyl)methyl]-
CHEMBL2105558SCHEMBL299732092,6-Diamino-3-(p-fluorobenzyl)pyridineNS00121155Q27271882
Database identifiers
- CAS
115911-28-9- PubChem CID
- 3058745
- DTXSID
DTXSID20151225- ChEMBL
CHEMBL2105558- UNII
- 9684V5J83L
- Nikkaji
- J561.851G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- FDA UNII
- 9684 V5J83L · 9684V5J83L
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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