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2,4-Dihydroxy-6-methyl-5-nitropyrimidine

CAT: 0572-TRC-D453250-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D453250-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16632-21-6
Hazard Statement
No Data Available
Smiles
Cc1nc(O)nc(O)c1[N+](=O)[O-]
Molecular Formula
C5 H5 N3 O4
Molecular Weight
171.11
InChI
InChI=1S/C5H5N3O4/c1-2-3(8(11)12)4(9)7-5(10)6-2/h1H3,(H2,6,7,9,10)
Additionnal Information
IUPAC name: 6-methyl-5-nitropyrimidine-2,4-diol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

6-Methyl-5-nitrouracil
CAS Number16632-21-6
PubChem CID85523
IUPAC Name6-methyl-5-nitro-1H-pyrimidine-2,4-dione
Molecular FormulaC5H5N3O4
Molecular Weight171.11
XLogP-0.6
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity300
SMILES
CC1=C(C(=O)NC(=O)N1)[N+](=O)[O-]
InChI
InChI=1S/C5H5N3O4/c1-2-3(8(11)12)4(9)7-5(10)6-2/h1H3,(H2,6,7,9,10)
InChIKey
LIVYMRJSNFHYEN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methyl-5-nitrouracil
CAS: 16632-21-6
CID: 85523
Formula: C5H5N3O4
MW: 171.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.11
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass171.02800565
Monoisotopic Mass171.02800565
Topological Polar Surface Area104 Ų
Heavy Atom Count12
Formal Charge0
Complexity300
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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sc-2162792,4-Dihydroxy-6-methyl-5-nitropyrimidine
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