Benzonitrile, 3-[(2-amino-6-methyl-4-pyrimidinyl)oxy]-
Basic information
- CAS
130035-56-2- Standard SMILES
Cc1cc(Oc2cccc(C#N)c2)nc(N)n1- InChIKey
SDCDHENEQZCVEH-UHFFFAOYSA-N- Molecular formula
- C12H10N4O
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.08546096
Names & identifiers
- Preferred name
- Benzonitrile, 3-[(2-amino-6-methyl-4-pyrimidinyl)oxy]-
- IUPAC
- 3-(2-amino-6-methylpyrimidin-4-yl)oxybenzonitrile
Names & synonyms
Benzonitrile, 3-[(2-amino-6-methyl-4-pyrimidinyl)oxy]-DTXSID201210288130035-56-23-[(2-Amino-6-methylpyrimidin-4-yl)oxy]benzonitrile
Database identifiers
- CAS
130035-56-2- PubChem CID
- 14724232
- DTXSID
DTXSID201210288
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
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Compound notes
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