5-Hydroxyuracil

C₄H₄N₂O₃CAS 496-76-4128.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₄N₂O₃
Molar mass: 128.09 g/mol
Exact mass: 128.0222 Da
logP: -0.56Crippen estimate
Polar surface area: 82.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation95.5% of notifiers

Aggregated from 44 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

496-76-4

SMILES

O=C1CN=C(O)N=C1O

InChIKey

FQXOOGHQVPKHPG-UHFFFAOYSA-N

InChI

InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1H2,(H2,5,6,8,9)

Weigh it out

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

Names and synonyms

5 names

2,4,5(3H)-Pyrimidinetrione, dihydro-
Isobarbituric acid
Dihydro-2,4,5(3H)-pyrimidinetrione
NSC 95958
1,3-Diazinane-2,4,5-trione

Work with 5-Hydroxyuracil

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

Hydantoin461-72-350 % similar Dihydrouracil504-07-432 % similar Alloxan50-71-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyrimidine-2,4,5-triol20636-41-3 Barbituric acid67-52-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia