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7-Methyl Lumazine

CAT: 0572-TRC-M315800-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M315800-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13401-38-2
Hazard Statement
No Data Available
Smiles
Cc1cnc2c(O)nc(O)nc2n1
Molecular Formula
C7 H6 N4 O2
Molecular Weight
178.148
InChI
InChI=1S/C7H6N4O2/c1-3-2-8-4-5(9-3)10-7(13)11-6(4)12/h2H,1H3,(H2,9,10,11,12,13)
Additionnal Information
IUPAC name: 7-methylpteridine-2,4-diol
Shipping Conditions
Room Temperature

Chemical Information

7-Methyllumizine

oxidative degradation product of 7-methyl-substituted pteridines in methanogenic bacteria; no other info available 6/85

CAS Number13401-38-2
PubChem CID5374589
IUPAC Name7-methyl-1H-pteridine-2,4-dione
Molecular FormulaC7H6N4O2
Molecular Weight178.15
XLogP-0.6
Topological Polar Surface Area84
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity255
SMILES
CC1=CN=C2C(=N1)NC(=O)NC2=O
InChI
InChI=1S/C7H6N4O2/c1-3-2-8-4-5(9-3)10-7(13)11-6(4)12/h2H,1H3,(H2,9,10,11,12,13)
InChIKey
WIXGFZWEUAUYGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Methyllumizine
CAS: 13401-38-2
CID: 5374589
Formula: C7H6N4O2
MW: 178.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.15
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass178.04907545
Monoisotopic Mass178.04907545
Topological Polar Surface Area84 Ų
Heavy Atom Count13
Formal Charge0
Complexity255
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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