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Barbituric acid

CAT: 0931-T205940-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T205940-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
67-52-7
Target
Tyrosinase
Related Pathways
Proteases/Proteasome
Purity
0.9983
Bioactivity
Barbituric acid is a pyrimidine derivative and the basic skeleton of barbiturate drugs, commonly used in the preparation of barbiturate drugs and other heterocyclic compounds. It exhibits weak inhibitory activity against tyrosinase in mushrooms.
Smiles
O=C1NC(=O)CC(=O)N1
Molecular Formula
C4H4N2O3
Molecular Weight
128.09
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Barbituric Acid

Barbituric acid is a barbiturate, the structure of which is that of perhydropyrimidine substituted at C-2, -4 and -6 by oxo groups. Barbituric acid is the parent compound of barbiturate drugs, although it is not itself pharmacologically active. It has a role as a xenobiotic and an allergen. It is a conjugate acid of a barbiturate, a barbiturate(2-) and a barbiturate(1-).

CAS Number67-52-7
PubChem CID6211
IUPAC Name1,3-diazinane-2,4,6-trione
Molecular FormulaC4H4N2O3
Molecular Weight128.09
XLogP-1.5
Topological Polar Surface Area75.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity168
SMILES
C1C(=O)NC(=O)NC1=O
InChI
InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
InChIKey
HNYOPLTXPVRDBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Barbituric Acid
CAS: 67-52-7
CID: 6211
Formula: C4H4N2O3
MW: 128.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.09
XLogP3-1.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass128.02219199
Monoisotopic Mass128.02219199
Topological Polar Surface Area75.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity168
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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