Basic information
- CAS
647831-31-0- Standard SMILES
Nc1nc(N)c(CCCCC(=O)C(F)(F)F)c(=O)[nH]1- InChIKey
MBFIKHBJTNDHQK-UHFFFAOYSA-N- Molecular formula
- C10H13F3N4O2
- Average molar mass
- 278.23 g/mol
- Monoisotopic mass
- 278.09906016
Names & identifiers
- Preferred name
- 2,6-Diamino-5-(6,6,6-trifluoro-5-oxohexyl)pyrimidin-4(1H)-one
- IUPAC
- 2,4-diamino-5-(6,6,6-trifluoro-5-oxohexyl)-1H-pyrimidin-6-one
Names & synonyms
647831-31-02,6-Diamino-5-(6,6,6-trifluoro-5-oxohexyl)pyrimidin-4(1H)-oneDTXSID80801436
Database identifiers
- CAS
647831-31-0- PubChem CID
- 136275151
- DTXSID
DTXSID80801436
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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