2-[2-Amino-5-(4-methoxyphenyl)pyrimidin-4-yl]phenol
Basic information
- CAS
87538-71-4- Standard SMILES
COc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1- InChIKey
FHQLWDRSCYZEHT-UHFFFAOYSA-N- Molecular formula
- C17H15N3O2
- Average molar mass
- 293.32 g/mol
- Monoisotopic mass
- 293.11642673
Names & identifiers
- Preferred name
- 2-[2-Amino-5-(4-methoxyphenyl)pyrimidin-4-yl]phenol
- IUPAC
- 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]phenol
Names & synonyms
NSC37557887538-71-4CHEMBL465987DTXSID50419623NSC-375578(6Z)-6-[2-Amino-5-(4-methoxyphenyl)pyrimidin-4(3H)-ylidene]cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
87538-71-4- PubChem CID
- 341839
- DTXSID
DTXSID50419623- ChEMBL
CHEMBL465987
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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