6-ethoxy-N-ethyl-5-nitropyrimidin-4-amine
Basic information
- CAS
326831-45-2- Standard SMILES
CCNc1ncnc(OCC)c1[N+](=O)[O-]- InChIKey
RIVRJDDGGBCNCP-UHFFFAOYSA-N- Molecular formula
- C8H12N4O3
- Average molar mass
- 212.21 g/mol
- Monoisotopic mass
- 212.09094026
Names & identifiers
- Preferred name
- 6-ethoxy-N-ethyl-5-nitropyrimidin-4-amine
- IUPAC
- 6-ethoxy-N-ethyl-5-nitropyrimidin-4-amine
- English name
- 4-Pyrimidinamine,6-ethoxy-N-ethyl-5-nitro-(9CI)
- Molecular formula
- C8H12N4O3
- Molecular weight
- 212.21
Names & synonyms
6-ethoxy-N-ethyl-5-nitropyrimidin-4-amine326831-45-2AKOS002894061DB-2839624-PYRIMIDINAMINE, 6-ETHOXY-N-ETHYL-5-NITRO-4-Pyrimidinamine,6-ethoxy-N-ethyl-5-nitro-(9CI)
Database identifiers
- CAS
326831-45-2- PubChem CID
- 23487198
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 398.2 · 398.2±42.0 °C(Predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- pka
- 1.34 · 1.34±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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