4-Pyrimidinol

C4H4N2OCAS 51953-18-596.09 g/mol

Open in Covalent MOL file
NHNO

Properties

Molecular formula
C4H4N2O
Molar mass
96.09 g/mol
Exact mass
96.0324 Da
logP
-0.23Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
51953-18-5
SMILES
C1=CN=CNC1=O
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.

Names and synonyms

1 names
  • 4-Hydroxypyrimidine

Work with 4-Pyrimidinol

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

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.

4-Hydroxypyrimidine4562-27-0 4(3H)-Pyrimidinone51953-17-4

Similar compounds

4-Aminopyrimidine591-54-846 % similar 1,2-Dihydropyrazin-2-one6270-63-941 % similar 2-Methyl-1,4-dihydropyrimidin-4-one19875-04-837 % similar 6-Chloropyrimidin-4-ol4765-77-937 % similar 5-Amino-2-pyridinol hydrochloride, 95117865-72-235 % similar 2-Hydroxy-5-iodopyridine13472-79-234 % similar 4-Hydroxy-6-hydrazinylpyrimidine29939-37-534 % similar 5-(Pyridin-2-yl)-2(1H)-pyridone381233-78-934 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Imidazole-2-carboxaldehyde10111-08-7 Pyrimidin-5-ol26456-59-7 Imidazole-4-carboxaldehyde3034-50-2 1H-Pyrazole-4-carbaldehyde35344-95-7 1H-Pyrazole-3-carbaldehyde3920-50-1 3(2H)-Pyridazinone504-30-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook