1-(2-Aminoethyl)-4-(tritylamino)pyrimidin-2-one
Basic information
- CAS
137871-20-6- Standard SMILES
NCCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O- InChIKey
RGHBZBPTJLDUKC-UHFFFAOYSA-N- Molecular formula
- C25H24N4O
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.1950114
Names & identifiers
- Preferred name
- 1-(2-Aminoethyl)-4-(tritylamino)pyrimidin-2-one
- IUPAC
- 1-(2-aminoethyl)-4-(tritylamino)pyrimidin-2-one
Names & synonyms
NSC639790137871-20-61-(2-aminoethyl)-4-(tritylamino)pyrimidin-2-oneSCHEMBL85773091-(2-Aminoethyl)-4-(tritylamino)-2(1H)-pyrimidinoneCHEMBL1968902DTXSID60327260NSC-639790NCI60_0132361-(2-Aminoethyl)-4-[(triphenylmethyl)amino]pyrimidin-2(1H)-one
Database identifiers
- CAS
137871-20-6- PubChem CID
- 368672
- DTXSID
DTXSID60327260- ChEMBL
CHEMBL1968902
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 580
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