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Dihydro Uracil

CAT: 0572-TRC-D449990-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D449990-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
504-07-4
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O=C1CCNC(=O)N1
Molecular Formula
C4 H6 N2 O2
Molecular Weight
114.1
InChI
InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)
Additionnal Information
IUPAC name: 1,3-diazinane-2,4-dione
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Dihydrouracil

5,6-dihydrouracil is a pyrimidine obtained by formal addition of hydrogen across the 5,6-position of uracil. It has a role as a metabolite, a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is functionally related to a uracil.

CAS Number504-07-4
PubChem CID649
IUPAC Name1,3-diazinane-2,4-dione
Molecular FormulaC4H6N2O2
Molecular Weight114.10
XLogP-1.1
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity132
SMILES
C1CNC(=O)NC1=O
InChI
InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)
InChIKey
OIVLITBTBDPEFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dihydrouracil
CAS: 504-07-4
CID: 649
Formula: C4H6N2O2
MW: 114.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.10
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass114.042927438
Monoisotopic Mass114.042927438
Topological Polar Surface Area58.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity132
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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