Basic information
- CAS
34954-19-3- Standard SMILES
O=C1NC(c2ccccc2)=CCN1c1ccccc1- InChIKey
CEYQVIHYILYSFU-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Names & identifiers
- Preferred name
- 2-Oxo-3,6-diphenyl-1,2,3,4-tetrahydropyrimidine
- IUPAC
- 3,6-diphenyl-1,4-dihydropyrimidin-2-one
- English name
- 2-Oxo-3,6-diphenyl-1,2,3,4-tetrahydropyrimidine
- Molecular formula
- C16H14N2O
- Molecular weight
- 250.3
Names & synonyms
2-Oxo-3,6-diphenyl-1,2,3,4-tetrahydropyrimidine34954-19-3DTXSID10339318RefChem:264888DTXCID102903993,6-diphenyl-3,4-dihydropyrimidin-2(1H)-oneSCHEMBL2883443CEYQVIHYILYSFU-UHFFFAOYSA-N3,6-Diphenyl-3,4-dihydro-2(1H)-pyrimidinone #2(1H)-Pyrimidinone, 3,6-dihydro-1,4-diphenyl-
Database identifiers
- CAS
34954-19-3- PubChem CID
- 555366
- DTXSID
DTXSID10339318- Nikkaji
- J530.421K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 490.1 · 490.1±45.0 °C(Predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- pka
- 11.66 · 11.66±0.40(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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