4-(2-Furyl)-2-(4-pyridinyl)pyrimidine
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Basic information
- CAS
866131-62-6- Standard SMILES
c1coc(-c2ccnc(-c3ccncc3)n2)c1- InChIKey
HFFWPHNCOQVRCH-UHFFFAOYSA-N- Molecular formula
- C13H9N3O
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.07456192
Names & identifiers
- Preferred name
- 4-(2-Furyl)-2-(4-pyridinyl)pyrimidine
- IUPAC
- 4-(furan-2-yl)-2-pyridin-4-ylpyrimidine
- English name
- 4-(2-Furyl)-2-(4-pyridinyl)pyrimidine
- Molecular formula
- C13H9N3O
- Molecular weight
- 223.23
Names & synonyms
4-(2-furyl)-2-(4-pyridinyl)pyrimidine866131-62-64-(furan-2-yl)-2-(pyridin-4-yl)pyrimidine4-(furan-2-yl)-2-pyridin-4-ylpyrimidineMFCD03617722MLS000720579CHEMBL1703617HMS2727L08AKOS0050996574-(2-furyl)-2-(4-pyridyl)pyrimidineSMR0003363277T-0061
Show more names
Pyrimidine, 4-(2-furanyl)-2-(4-pyridinyl)-
Database identifiers
- CAS
866131-62-6- PubChem CID
- 1485448
- ChEMBL
CHEMBL1703617
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Experimental & physicochemical properties
Solubility>33.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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