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Basic information
- Standard SMILES
Cc1ccc(-c2nc(N)nc(N)c2[N+](=O)[O-])o1- InChIKey
VPUOJYLSZNTWOF-UHFFFAOYSA-N- Molecular formula
- C9H9N5O3
- Average molar mass
- 235.2 g/mol
- Monoisotopic mass
- 235.07053917
Names & identifiers
- Preferred name
- 6-(5-Methyl-2-Furyl)-5-Nitropyrimidine-2,4-Diamine
- IUPAC
- 6-(5-methylfuran-2-yl)-5-nitropyrimidine-2,4-diamine
Names & synonyms
442910-17-06-(5-Methyl-2-Furyl)-5-Nitropyrimidine-2,4-Diamine6-(5-methylfuran-2-yl)-5-nitropyrimidine-2,4-diaminestarbld0012532SCHEMBL4048966VPUOJYLSZNTWOF-UHFFFAOYSA-NMFCD32661923SY249489
Database identifiers
- PubChem CID
- 21874530
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
8 records
Compound notes
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