Basic information
- CAS
93323-47-8- Standard SMILES
Cn1c(-c2ccccc2)c(-c2ccccc2)cnc1=O- InChIKey
BBNFFQUTCXFQIC-UHFFFAOYSA-N- Molecular formula
- C17H14N2O
- Average molar mass
- 262.3 g/mol
Names & identifiers
- Preferred name
- 5,6-Diphenyl-1-methyl-2(1H)-pyrimidinone
- IUPAC
- 1-methyl-5,6-diphenylpyrimidin-2-one
Names & synonyms
93323-47-85,6-DIPHENYL-1-METHYL-2(1H)-PYRIMIDINONERefChem:528137668-077-91-Methyl-5,6-diphenylpyrimidin-2(1H)-oneSCHEMBL2834048BBNFFQUTCXFQIC-UHFFFAOYSA-NAKOS024337553DA-291591-Methyl-5,6-diphenyl-1H-pyrimidin-2-one
Database identifiers
- CAS
93323-47-8- PubChem CID
- 3609352
- EC Number
- 668-077-9
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 426
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
2 records
Compound notes
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