4(3H)-Pyrimidinone

C₄H₄N₂OCAS 51953-17-496.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₄N₂O
Molar mass: 96.09 g/mol
Exact mass: 96.0324 Da
Melting point: 164 °C
logP: 0.18Crippen estimate
Polar surface area: 46.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

51953-17-4

SMILES

Oc1ccncn1

InChIKey

DNCYBUMDUBHIJZ-UHFFFAOYSA-N

InChI

InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4(3H)-Pyrimidinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Pyridone142-08-546 % similar 2-Pyridinol72762-00-646 % similar 4,6-Dihydroxypyrimidine1193-24-445 % similar 4-Pyrimidinemethanol33581-98-544 % similar Uracil66-22-842 % similar 2-(Methylthio)-4(3H)-pyrimidinone5751-20-241 % similar 4-Pyrimidinecarboxylic acid31462-59-640 % similar 2-Thiouracil141-90-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Imidazole-2-carboxaldehyde10111-08-7 Imidazole-4-carboxaldehyde3034-50-2 4-Hydroxypyrimidine4562-27-0 3(2H)-Pyridazinone504-30-3 Pyrimidone557-01-7 2(1H)-Pyrazinone6270-63-9

Elsewhere

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