N-(4,6-diaminopyrimidin-5-yl)-2-(2-nitrophenoxy)acetamide
Basic information
- CAS
21313-81-5- Standard SMILES
Nc1ncnc(N)c1NC(=O)COc1ccccc1[N+](=O)[O-]- InChIKey
PWQLWQJTKQAZKB-UHFFFAOYSA-N- Molecular formula
- C12H12N6O4
- Average molar mass
- 304.26 g/mol
- Monoisotopic mass
- 304.09200289
Names & identifiers
- Preferred name
- N-(4,6-diaminopyrimidin-5-yl)-2-(2-nitrophenoxy)acetamide
- IUPAC
- N-(4,6-diaminopyrimidin-5-yl)-2-(2-nitrophenoxy)acetamide
Names & synonyms
21313-81-5N-(4,6-diaminopyrimidin-5-yl)-2-(2-nitrophenoxy)acetamideNSC211211DTXSID00309141NSC-211211
Database identifiers
- CAS
21313-81-5- PubChem CID
- 309060
- DTXSID
DTXSID00309141
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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