2-Chloro-4-(ethylamino)-5-nitropyrimidine
Basic information
- CAS
330550-93-1- Standard SMILES
CCNc1nc(Cl)ncc1[N+](=O)[O-]- InChIKey
MHYPLWZTFXKBEA-UHFFFAOYSA-N- Molecular formula
- C6H7ClN4O2
- Average molar mass
- 202.6 g/mol
- Monoisotopic mass
- 202.0257532
Names & identifiers
- Preferred name
- 2-Chloro-4-(ethylamino)-5-nitropyrimidine
- IUPAC
- 2-chloro-N-ethyl-5-nitropyrimidin-4-amine
Names & synonyms
2-Chloro-4-(ethylamino)-5-nitropyrimidine2-chloro-N-ethyl-5-nitropyrimidin-4-amine330550-93-1SCHEMBL1804900SCHEMBL28657847MHYPLWZTFXKBEA-UHFFFAOYSA-NDTXSID701271001AKOS0003203452-Chloro-N-ethyl-5-nitro-4-pyrimidinamineDB-302995(2-chloro-5-nitro-pyrimidin-4-yl)-ethyl-amine
Database identifiers
- CAS
330550-93-1- PubChem CID
- 7147233
- DTXSID
DTXSID701271001
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Related reactions
8 records
Compound notes
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