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N6-Methyladenine

CAT: 0926-FM10151-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-FM10151-01Size:500 mg
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CAS Number
443-72-1
Synonyms
6- (Methylamino) purine
MDL Number
MFCD00075820
Smiles
CNC1=NC=NC2=C1NC=N2
Molecular Formula
C6H7N5
Molecular Weight
149.15 g/mol
Controlled
No

Chemical Information

N6-Methyladenine

6-methyladenine is a methyladenine that is 9H-purin-6-amine substituted by a methyl group at the amino nitrogen. It has a role as a human metabolite. It is a 6-alkylaminopurine and a methyladenine.

CAS Number443-72-1
PubChem CID67955
IUPAC NameN-methyl-7H-purin-6-amine
Molecular FormulaC6H7N5
Molecular Weight149.15
XLogP0.6
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity139
SMILES
CNC1=NC=NC2=C1NC=N2
InChI
InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)
InChIKey
CKOMXBHMKXXTNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N6-Methyladenine
CAS: 443-72-1
CID: 67955
Formula: C6H7N5
MW: 149.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.15
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass149.07014524
Monoisotopic Mass149.07014524
Topological Polar Surface Area66.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity139
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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