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2-Aminopurine

CAT: 0127-OR1010308-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1010308-01Size:100 mg
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CAS Number
452-06-2
MDL Number
MFCD00005566
Purity
98%
Smiles
NC1=NC2=NC=NC2=CN1

Chemical Information

2-Aminopurine

2-aminopurine is the parent compound of the 2-aminopurines, comprising a purine core carrying an amino substituent at the 2-position. It has a role as an antimetabolite. It is a member of 2-aminopurines and a nucleobase analogue.

CAS Number452-06-2
PubChem CID9955
IUPAC Name7H-purin-2-amine
Molecular FormulaC5H5N5
Molecular Weight135.13
XLogP-0.2
Topological Polar Surface Area80.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity127
SMILES
C1=C2C(=NC(=N1)N)N=CN2
InChI
InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)
InChIKey
MWBWWFOAEOYUST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Aminopurine
CAS: 452-06-2
CID: 9955
Formula: C5H5N5
MW: 135.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight135.13
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass135.05449518
Monoisotopic Mass135.05449518
Topological Polar Surface Area80.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity127
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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