4(1H)-Pyrimidinone, 5-(4-pyridinyl)-
Basic information
- CAS
22433-72-3- Standard SMILES
O=c1[nH]cncc1-c1ccncc1- InChIKey
MZDSAQFMGVWPIS-UHFFFAOYSA-N- Molecular formula
- C9H7N3O
- Average molar mass
- 173.17 g/mol
- Monoisotopic mass
- 173.05891186
Names & identifiers
- Preferred name
- 4(1H)-Pyrimidinone, 5-(4-pyridinyl)-
- IUPAC
- 5-pyridin-4-yl-1H-pyrimidin-6-one
Names & synonyms
22433-72-34(1H)-Pyrimidinone, 5-(4-pyridinyl)-5-(4-Pyridinyl)-4(1H)-pyrimidinoneDTXSID20176973RefChem:283609DTXCID30994645-(pyridin-4-yl)pyrimidin-4(3h)-one
Database identifiers
- CAS
22433-72-3- PubChem CID
- 211149
- DTXSID
DTXSID20176973- Nikkaji
- J601.894G
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 264
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Compound notes
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