1-(Pyrimidin-5-yl)ethan-1-one
Properties
- Molecular formula
- C6H6N2O
- Molar mass
- 122.13 g/mol
- Exact mass
- 122.0480 Da
- logP
- 0.68Crippen estimate
- Polar surface area
- 42.9 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
10325-70-9SMILES
CC(=O)C1=CN=CN=C1InChIKey
COTYNDRSENVEFI-UHFFFAOYSA-NInChI
InChI=1S/C6H6N2O/c1-5(9)6-2-7-4-8-3-6/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1-(5-Pyrimidinyl)ethanone
Work with 1-(Pyrimidin-5-yl)ethan-1-one
Similar compounds
3-Acetylpyridine350-03-859 % similar
3-Acetyl-5-bromopyridine38940-62-457 % similar
4-Acetylpyridine1122-54-956 % similar
1,4-Diacetylbenzene1009-61-655 % similar
1,1′,1′′-(1,3,5-Benzenetriyl)tris[ethanone]779-90-855 % similar
1-(1H-Pyrazol-4-yl)-ethanone25016-16-450 % similar
4,4'-Diacetylbiphenyl787-69-948 % similar
Acetophenone98-86-248 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.