6-amino-5-(4-methoxyphenyl)-1H-pyrimidin-2-one
Basic information
- CAS
35071-04-6- Standard SMILES
COc1ccc(-c2cnc(=O)[nH]c2N)cc1- InChIKey
NKHLYZVKNPGQJS-UHFFFAOYSA-N- Molecular formula
- C11H11N3O2
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.0851266
Names & identifiers
- Preferred name
- 6-amino-5-(4-methoxyphenyl)-1H-pyrimidin-2-one
- IUPAC
- 6-amino-5-(4-methoxyphenyl)-1H-pyrimidin-2-one
Names & synonyms
NSC21184335071-04-6CHEMBL3273662DTXSID80309366NSC-2118436-Amino-5-(4-methoxyphenyl)pyrimidin-2(1H)-one
Database identifiers
- CAS
35071-04-6- PubChem CID
- 309547
- DTXSID
DTXSID80309366- ChEMBL
CHEMBL3273662
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 341
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Compound notes
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