6-Ethoxy-5-nitrosopyrimidine-2,4-diamine
Basic information
- CAS
6965-97-5- Standard SMILES
CCOc1nc(N)nc(N)c1N=O- InChIKey
VUTARFHXVDMWDZ-UHFFFAOYSA-N- Molecular formula
- C6H9N5O2
- Average molar mass
- 183.17 g/mol
- Monoisotopic mass
- 183.07562453
Names & identifiers
- Preferred name
- 6-Ethoxy-5-nitrosopyrimidine-2,4-diamine
- IUPAC
- 6-ethoxy-5-nitrosopyrimidine-2,4-diamine
Names & synonyms
6965-97-56-ethoxy-5-nitrosopyrimidine-2,4-diamineNSC18699SCHEMBL4454204DTXSID30280792VUTARFHXVDMWDZ-UHFFFAOYSA-NNSC-186995-nitroso-2,6-diamino-4-ethoxy-pyrimidine
Database identifiers
- CAS
6965-97-5- PubChem CID
- 227250
- DTXSID
DTXSID30280792- Nikkaji
- J2.860.077A
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
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Related reactions
3 records
Compound notes
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