1-[4-Methyl-2-(1-piperidinyl)-5-pyrimidinyl]ethanone
Basic information
- CAS
66373-33-9- Standard SMILES
CC(=O)c1cnc(N2CCCCC2)nc1C- InChIKey
SLSFPTLEGUHGCR-UHFFFAOYSA-N- Molecular formula
- C12H17N3O
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.13716217
Names & identifiers
- Preferred name
- 1-[4-Methyl-2-(1-piperidinyl)-5-pyrimidinyl]ethanone
- IUPAC
- 1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanone
- English name
- ASISCHEM C39820
- Molecular formula
- C12H17N3O
- Molecular weight
- 219.28
Names & synonyms
66373-33-91-[4-METHYL-2-(1-PIPERIDINYL)-5-PYRIMIDINYL]ETHANONE1-(4-Methyl-2-(piperidin-1-yl)pyrimidin-5-yl)ethanone1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanoneMFCD066105191-[4-Methyl-2-(piperidin-1-yl)pyrimidin-5-yl]ethan-1-one1-(4-Methyl-2-(piperidin-1-yl)pyrimidin-5-yl)ethan-1-one1-[4-methyl-2-(piperidin-1-yl)pyrimidin-5-yl]ethanoneEthanone, 1-[4-methyl-2-(1-piperidinyl)-5-pyrimidinyl]-5-acetyl-4-methyl-2-piperidylpyrimidineSMR000048504MLS000042595
Show more names
ASISCHEM C39820AKOS VGYB0000395CHEMBRDG-BB 90714021-(4-methyl-2-piperidino-pyrimidin-5-yl)ethanone1-[4-methyl-2-(1-piperidyl)pyrimidin-5-yl]ethanone1-[4-methyl-2-(1-piperidyl)-5-pyrimidinyl]ethanone
CHEMBL1478448DTXSID60349846HMS2421P03HMS5161M17ALBB-021748SBB082573STK217719AKOS002287893
Database identifiers
- CAS
66373-33-9- PubChem CID
- 667141
- DTXSID
DTXSID60349846- ChEMBL
CHEMBL1478448- EC Number
- 150-651-0
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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