Basic information
- CAS
1111103-58-2- Standard SMILES
O=c1ncc(-c2cncnc2)c[nH]1- InChIKey
IKKXTMURIOHYAX-UHFFFAOYSA-N- Molecular formula
- C8H6N4O
- Average molar mass
- 174.16 g/mol
- Monoisotopic mass
- 174.05416083
Names & identifiers
- Preferred name
- [5,5'-Bipyrimidin]-2(1H)-one
- IUPAC
- 5-pyrimidin-5-yl-1H-pyrimidin-2-one
Names & synonyms
[5,5'-Bipyrimidin]-2(1H)-one1111103-58-2[5,5a(2)-Bipyrimidin]-2(1H)-oneSCHEMBL29431700DTXSID0013096872-Hydroxy-5-(5-pyrimidyl)pyrimidineAKOS015942317CS-43242
Database identifiers
- CAS
1111103-58-2- PubChem CID
- 66520188
- DTXSID
DTXSID001309687
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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