2-(2-Amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol
Basic information
- CAS
105258-11-5- Standard SMILES
COc1ccc(-c2nc(N)ncc2-c2ccccc2)c(O)c1- InChIKey
SEWIHDJLXCJRJL-UHFFFAOYSA-N- Molecular formula
- C17H15N3O2
- Average molar mass
- 293.32 g/mol
- Monoisotopic mass
- 293.11642673
Names & identifiers
- Preferred name
- 2-(2-Amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol
- IUPAC
- 2-(2-amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol
Names & synonyms
2-(2-amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol105258-11-5Oprea1_533928Oprea1_602961MLS001214732CHEMBL1425079DTXSID801327918HMS2867K24STK852980AKOS001612523SMR000543482ST50470047
Show more names
Z56767413F0196-1369
Database identifiers
- CAS
105258-11-5- PubChem CID
- 764017
- DTXSID
DTXSID801327918- ChEMBL
CHEMBL1425079
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
- 349
Experimental & physicochemical properties
Solubility0.9 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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