5-[(6-Amino-5-nitropyrimidin-4-yl)amino]-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
Basic information
- Standard SMILES
Nc1ncnc(NC2C=C(CO)C(O)C2O)c1[N+](=O)[O-]- InChIKey
BVQVAVFPWCWXSL-UHFFFAOYSA-N- Molecular formula
- C10H13N5O5
- Average molar mass
- 283.24 g/mol
- Monoisotopic mass
- 283.09166853
Names & identifiers
- Preferred name
- 5-[(6-Amino-5-nitropyrimidin-4-yl)amino]-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
- IUPAC
- 5-[(6-amino-5-nitropyrimidin-4-yl)amino]-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
Names & synonyms
NCI60_014481CHEMBL2007710
Database identifiers
- PubChem CID
- 370153
- ChEMBL
CHEMBL2007710
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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