3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Basic information
- CAS
331443-91-5- Standard SMILES
Nn1cnc2c([nH]c3ccc(F)cc32)c1=O- InChIKey
LNDXUKPVCYRMLX-UHFFFAOYSA-N- Molecular formula
- C10H7FN4O
- Average molar mass
- 218.19 g/mol
- Monoisotopic mass
- 218.06038902
Names & identifiers
- Preferred name
- 3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
- IUPAC
- 3-amino-8-fluoro-5H-pyrimido[5,4-b]indol-4-one
Names & synonyms
3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one331443-91-5Oprea1_518296Oprea1_638905DTXSID001193804STK830428AKOS000562106SR-01000478918SR-01000478918-13-amino-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one
Database identifiers
- CAS
331443-91-5- PubChem CID
- 744290
- DTXSID
DTXSID001193804
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…