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5-Methylaminouracil

CAT: 0127-OR92529-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR92529-01Size:250 mg
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CAS Number
7577-92-6
MDL Number
MFCD00619251
Purity
98%
Smiles
O=C(N1)NC=C(NC)C1=O

Chemical Information

5-Methylaminouracil
CAS Number7577-92-6
PubChem CID255550
IUPAC Name5-(methylamino)-1H-pyrimidine-2,4-dione
Molecular FormulaC5H7N3O2
Molecular Weight141.13
XLogP-0.8
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity209
SMILES
CNC1=CNC(=O)NC1=O
InChI
InChI=1S/C5H7N3O2/c1-6-3-2-7-5(10)8-4(3)9/h2,6H,1H3,(H2,7,8,9,10)
InChIKey
DYRPKHXNULRIQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methylaminouracil
CAS: 7577-92-6
CID: 255550
Formula: C5H7N3O2
MW: 141.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.13
XLogP3-0.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass141.053826475
Monoisotopic Mass141.053826475
Topological Polar Surface Area70.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity209
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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