chempirical

7-Methyladenine

C6H7N5CAS 935-69-3149.16 g/mol

Open in Covalent MOL file
NNNNH2N
Primary amine

Properties

Molecular formula
C6H7N5
Molar mass
149.16 g/mol
Exact mass
149.0701 Da
Melting point
344–346 °C (decomposes)
logP
-0.05Crippen estimate
Polar surface area
69.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Identifiers

CAS number
935-69-3
SMILES
Cn1cnc2ncnc(N)c21
InChIKey
HCGHYQLFMPXSDU-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N5/c1-11-3-10-6-4(11)5(7)8-2-9-6/h2-3H,1H3,(H2,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 7H-Purin-6-amine, 7-methyl-
  • Adenine, 7-methyl-
  • 7-Methyl-7H-purin-6-amine
  • 6-Amino-7-methylpurine
  • N7-Methyladenine
  • NSC 7857

Work with 7-Methyladenine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dichloro-7-methyl-7H-purine2273-93-039 % similar 7-Methylxanthine552-62-538 % similar Paraxanthine611-59-635 % similar (αS)-6-Amino-α-methyl-9H-purine-9-ethanol14047-27-933 % similar (αR)-6-Amino-α-methyl-9H-purine-9-ethanol14047-28-033 % similar 9-(2-Hydroxyethyl)adenine707-99-333 % similar 4-Amino-5,6-dimethoxypyrimidine5018-45-132 % similar Caffeine58-08-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N1-Methyladenine5142-22-3 3-Methyladenine5142-23-4 9-Methyladenine700-00-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook