N-(4,6-diaminopyrimidin-5-yl)-3-fluorobenzamide
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Basic information
- CAS
501659-57-0- Standard SMILES
Nc1ncnc(N)c1NC(=O)c1cccc(F)c1- InChIKey
HKBRECJHGZYVLI-UHFFFAOYSA-N- Molecular formula
- C11H10FN5O
- Average molar mass
- 247.23 g/mol
- Monoisotopic mass
- 247.08693812
Names & identifiers
- Preferred name
- N-(4,6-diaminopyrimidin-5-yl)-3-fluorobenzamide
- IUPAC
- N-(4,6-diaminopyrimidin-5-yl)-3-fluorobenzamide
- English name
- Benzamide, N-(4,6-diamino-5-pyrimidinyl)-3-fluoro- (9CI)
- Molecular formula
- C11H10FN5O
- Molecular weight
- 247.23
Names & synonyms
501659-57-0N-(4,6-diaminopyrimidin-5-yl)-3-fluorobenzamideNSC211710N-(4,6-Diamino-5-pyrimidinyl)-3-fluorobenzamideDTXSID90309312NSC-211710Benzamide, N-(4,6-diamino-5-pyrimidinyl)-3-fluoro-Benzamide, N-(4,6-diamino-5-pyrimidinyl)-3-fluoro- (9CI)
Database identifiers
- CAS
501659-57-0- PubChem CID
- 309435
- DTXSID
DTXSID90309312
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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