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2,6-Dimethoxy-7-deazapurine

CAT: 0572-TRC-D460670-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D460670-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
90057-09-3
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
COc1nc(OC)c2cc[nH]c2n1
Molecular Formula
C8 H9 N3 O2
Molecular Weight
179.18
InChI
InChI=1S/C8H9N3O2/c1-12-7-5-3-4-9-6(5)10-8(11-7)13-2/h3-4H,1-2H3,(H,9,10,11)
Additionnal Information
IUPAC name: 2,4-dimethoxy-7H-pyrrolo[2,3-d]pyrimidine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2,4-dimethoxy-7H-pyrrolo[2,3-d]pyrimidine
CAS Number90057-09-3
PubChem CID5886469
IUPAC Name2,4-dimethoxy-7H-pyrrolo[2,3-d]pyrimidine
Molecular FormulaC8H9N3O2
Molecular Weight179.18
XLogP1.3
Topological Polar Surface Area60
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity179
SMILES
COC1=NC(=NC2=C1C=CN2)OC
InChI
InChI=1S/C8H9N3O2/c1-12-7-5-3-4-9-6(5)10-8(11-7)13-2/h3-4H,1-2H3,(H,9,10,11)
InChIKey
UBLQRBYFVAHEJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-dimethoxy-7H-pyrrolo[2,3-d]pyrimidine
CAS: 90057-09-3
CID: 5886469
Formula: C8H9N3O2
MW: 179.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.18
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass179.069476538
Monoisotopic Mass179.069476538
Topological Polar Surface Area60 Ų
Heavy Atom Count13
Formal Charge0
Complexity179
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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