Basic information
- CAS
42902-13-6- Standard SMILES
CCc1nc(N)nc(N)c1-c1ccc([N+](=O)[O-])cc1O- InChIKey
PWQGDAJQNNNLPV-UHFFFAOYSA-N- Molecular formula
- C12H13N5O3
- Average molar mass
- 275.26 g/mol
- Monoisotopic mass
- 275.10183929
Names & identifiers
- Preferred name
- 2-(2,4-Diamino-6-ethylpyrimidin-5-yl)-5-nitrophenol
- IUPAC
- 2-(2,4-diamino-6-ethylpyrimidin-5-yl)-5-nitrophenol
Names & synonyms
42902-13-62-(2,4-diamino-6-ethylpyrimidin-5-yl)-5-nitrophenolNSC171326DTXSID80397763NSC-171326
Database identifiers
- CAS
42902-13-6- PubChem CID
- 3885136
- DTXSID
DTXSID80397763
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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