Basic information
- CAS
95458-50-7- Standard SMILES
CCc1nc(N)nc(N)c1-c1ccc(N=[N+]=[N-])c(Cl)c1- InChIKey
JEEQAZAPRTUYPR-UHFFFAOYSA-N- Molecular formula
- C12H12ClN7
- Average molar mass
- 289.72 g/mol
- Monoisotopic mass
- 289.0842711
Names & identifiers
- Preferred name
- 5-(4-Azido-3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
- IUPAC
- 5-(4-azido-3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
- English name
- 5-(4-Azido-3-chlorophenyl)-6-ethyl-2,4-pyrimidinediamine
- Molecular formula
- C12H12ClN7
- Molecular weight
- 0
Names & synonyms
5-(4-azido-3-chlorophenyl)-6-ethylpyrimidine-2,4-diamineNSC60231295458-50-7DTXSID40326574NSC-602312m-Azidopyrimethamine2,4-diamino-5-(4-azido-3-chlorophenyl)-6-ethylpyrimidine5-(4-Azido-3-chlorophenyl)-6-ethyl-2,4-pyrimidinediamine
Database identifiers
- CAS
95458-50-7- PubChem CID
- 353605
- DTXSID
DTXSID40326574- Nikkaji
- J227.907J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- NCI Drug Dictionary
- m-azidopyrimethamine
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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