Pyrimidone
Properties
- Molecular formula
- C4H4N2O
- Molar mass
- 96.09 g/mol
- Exact mass
- 96.0324 Da
- Melting point
- 177–178 °C
- logP
- 0.18Crippen estimate
- Polar surface area
- 46.0 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
557-01-7SMILES
Oc1ncccn1InChIKey
VTGOHKSTWXHQJK-UHFFFAOYSA-NInChI
InChI=1S/C4H4N2O/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- 2(1H)-Pyrimidinone
- 2-Oxopyrimidine
- 2-Pyrimidone
- 2-Hydroxypyrimidine
- 2-Pyrimidinol
- 2-Pyrimidinone
- 2(1H)-Pyrimidone
- 1,2-Dihydropyrimidin-2-one
- NSC 618280
- 1H-Pyrimidin-2-one
Work with Pyrimidone
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2,2′-Bipyrimidine34671-83-547 % similar
Uracil66-22-843 % similar
2-Chloropyrimidine1722-12-942 % similar
4-Thiouracil591-28-642 % similar
2-Pyridone142-08-541 % similar
5-Bromo-2(1H)-pyrimidinone214290-49-041 % similar
2,2'-Bipyridine-3,3'-diol36145-03-641 % similar
5-Bromo-2(1H)-pyrimidinone38353-06-941 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.