[2-Oxo-2-(pyrimidin-2-ylamino)ethyl] 4-(diethylamino)benzoate
Basic information
- CAS
795294-50-7- Standard SMILES
CCN(CC)c1ccc(C(=O)OCC(=O)Nc2ncccn2)cc1- InChIKey
QGVHZNKOVOLQOG-UHFFFAOYSA-N- Molecular formula
- C17H20N4O3
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.15354051
Names & identifiers
- Preferred name
- [2-Oxo-2-(pyrimidin-2-ylamino)ethyl] 4-(diethylamino)benzoate
- IUPAC
- [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-(diethylamino)benzoate
Names & synonyms
[2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-(diethylamino)benzoateMLS002248826CHEMBL1717638DTXSID801330349HMS1749O12HMS3093M09AKOS033617428795294-50-7SMR001316285Z184060172-Oxo-2-[(pyrimidin-2-yl)amino]ethyl 4-(diethylamino)benzoate
Database identifiers
- CAS
795294-50-7- PubChem CID
- 2447697
- DTXSID
DTXSID801330349- ChEMBL
CHEMBL1717638
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 401
Experimental & physicochemical properties
Solubility2.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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