Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate
Basic information
- CAS
43111-45-1- Standard SMILES
CCOC(=O)c1ccc(N(C)Cc2cnc(N)c(C#N)n2)cc1- InChIKey
JSMYEARCFNTPMN-UHFFFAOYSA-N- Molecular formula
- C16H17N5O2
- Average molar mass
- 311.34 g/mol
- Monoisotopic mass
- 311.1382248
Names & identifiers
- Preferred name
- Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate
- IUPAC
- ethyl 4-[(5-amino-6-cyanopyrazin-2-yl)methyl-methylamino]benzoate
Names & synonyms
43111-45-1Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoateEthyl 4-{[(5-amino-6-cyanopyrazin-2-yl)methyl](methyl)amino}benzoateNSC265434DTXSID10312989JSMYEARCFNTPMN-UHFFFAOYSA-NNSC-2654342-Amino-3-cyano-5-[[p-ethoxycarbonyl-N-methylanilino]methylpyrazineEthyl 4-[[(5-amino-6-cyano-2-pyrazinyl)methyl](methyl)amino]benzoate #
Database identifiers
- CAS
43111-45-1- PubChem CID
- 319831
- DTXSID
DTXSID10312989
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 441
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Compound notes
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