Basic information
- CAS
20781-07-1- Standard SMILES
CCOC(=O)c1ccc(N=Cc2cnc(N)nc2N)cc1- InChIKey
LPRPVWGPCMQLIJ-UHFFFAOYSA-N- Molecular formula
- C14H15N5O2
- Average molar mass
- 285.3 g/mol
- Monoisotopic mass
- 285.12257474
Names & identifiers
- Preferred name
- Ethyl 4-[(2,4-diaminopyrimidin-5-yl)methylideneamino]benzoate
- IUPAC
- ethyl 4-[(2,4-diaminopyrimidin-5-yl)methylideneamino]benzoate
Names & synonyms
20781-07-1MLS002706409(E)-Ethyl 4-(((2,4-diaminopyrimidin-5-yl)methylene)amino)benzoateEthyl 4-(((2,4-diaminopyrimidin-5-yl)methylene)amino)benzoateethyl 4-[(2,4-diaminopyrimidin-5-yl)methylideneamino]benzoateNSC111560CHEMBL1884499DTXSID10296790NSC-111560SMR001573816DS-011031Ethyl 4-{(E)-[(2,4-diaminopyrimidin-5-yl)methylidene]amino}benzoate
Database identifiers
- CAS
20781-07-1- PubChem CID
- 269869
- DTXSID
DTXSID10296790- ChEMBL
CHEMBL1884499
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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