5-Amino-2,4,6(1H,3H,5H)-pyrimidinetrione

C₄H₅N₃O₃CAS 118-78-5143.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅N₃O₃
Molar mass: 143.10 g/mol
Exact mass: 143.0331 Da
Melting point: above 400 °C
logP: -0.64Crippen estimate
Polar surface area: 108.3 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

118-78-5

SMILES

NC1C(O)=NC(=O)N=C1O

InChIKey

PSQZLWHRJMYZHD-UHFFFAOYSA-N

InChI

InChI=1S/C4H5N3O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,5H2,(H2,6,7,8,9,10)

Weigh it out

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

Names and synonyms

13 names · show all

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-amino-
Barbituric acid, 5-amino-
Uramil
2,4,6-Pyrimidinetriol, 5-amino-
5-Aminobarbituric acid
Dialuramide
5-Amino-2,4,6-pyrimidinetriol
Murexan
5-Amino-2,4,6-trihydroxypyrimidine
5-Amino-6-hydroxy-2,4(1H,3H)-pyrimidinedione
Aminobarbituric acid
NSC 264287
NSC 3971

Reactions

Uramilproduct

Work with 5-Amino-2,4,6(1H,3H,5H)-pyrimidinetrione

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

5-Nitrobarbituric acid480-68-247 % similar Murexide3051-09-041 % similar Alloxan50-71-537 % similar Barbituric acid67-52-737 % similar 2-Aminopropanediamide62009-47-635 % similar Alloxantin76-24-434 % similar 2,4,5,6(1H,3H)-Pyrimidinetetrone, hydrate (1:1)2244-11-333 % similar 5,5-Dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione511-67-133 % similar

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

Elsewhere

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