4-Amino-1-(4-phenylbutyl)pyrimidin-2(1H)-one
Basic information
- CAS
60722-57-8- Standard SMILES
Nc1ccn(CCCCc2ccccc2)c(=O)n1- InChIKey
PUASYZXWYVOUAZ-UHFFFAOYSA-N- Molecular formula
- C14H17N3O
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.13716217
Names & identifiers
- Preferred name
- 4-Amino-1-(4-phenylbutyl)pyrimidin-2(1H)-one
- IUPAC
- 4-amino-1-(4-phenylbutyl)pyrimidin-2-one
Names & synonyms
60722-57-8NSC2102884-Amino-1-(4-phenylbutyl)pyrimidin-2(1H)-oneCHEMBL3273645DTXSID90308865NSC-210288DS-0032182(1H)-pyrimidinone,4-amino-1-(4-phenylbutyl)-
Database identifiers
- CAS
60722-57-8- PubChem CID
- 308485
- DTXSID
DTXSID90308865- ChEMBL
CHEMBL3273645
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 343
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Compound notes
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