6-Hydroxy-2-isobutyl-5-nitropyrimidin-4(1H)-one
Basic information
- CAS
61456-92-6- Standard SMILES
CC(C)Cc1nc(O)c([N+](=O)[O-])c(=O)[nH]1- InChIKey
SDHRQBMEKXQEEA-UHFFFAOYSA-N- Molecular formula
- C8H11N3O4
- Average molar mass
- 213.19 g/mol
- Monoisotopic mass
- 213.07495584
Names & identifiers
- Preferred name
- 6-Hydroxy-2-isobutyl-5-nitropyrimidin-4(1H)-one
- IUPAC
- 4-hydroxy-2-(2-methylpropyl)-5-nitro-1H-pyrimidin-6-one
Names & synonyms
61456-92-66-Hydroxy-2-isobutyl-5-nitropyrimidin-4(1H)-one6-Hydroxy-2-(2-methylpropyl)-5-nitropyrimidin-4(3H)-oneDTXSID20488386SY347983
Database identifiers
- CAS
61456-92-6- PubChem CID
- 12320331
- DTXSID
DTXSID20488386
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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