[4-(6-Hydroxy-4-methoxy-1-benzofuran-5-yl)-6-methylpyrimidin-2-yl]cyanamide
Basic information
- CAS
52872-86-3- Standard SMILES
COc1c(-c2cc(C)nc(NC#N)n2)c(O)cc2occc12- InChIKey
YSFAYTKAOBOSBL-UHFFFAOYSA-N- Molecular formula
- C15H12N4O3
- Average molar mass
- 296.28 g/mol
- Monoisotopic mass
- 296.09094026
Names & identifiers
- Preferred name
- [4-(6-Hydroxy-4-methoxy-1-benzofuran-5-yl)-6-methylpyrimidin-2-yl]cyanamide
- IUPAC
- [4-(6-hydroxy-4-methoxy-1-benzofuran-5-yl)-6-methylpyrimidin-2-yl]cyanamide
Names & synonyms
NSC23248552872-86-3DTXSID10418359NSC-232485[(4E)-4-(4-Methoxy-6-oxo-1-benzofuran-5(6H)-ylidene)-6-methyl-1,4-dihydropyrimidin-2-yl]cyanamide
Database identifiers
- CAS
52872-86-3- PubChem CID
- 314567
- DTXSID
DTXSID10418359
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 440
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Compound notes
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