chempirical

N1-Methyladenine

C6H7N5CAS 5142-22-3149.16 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
above 300 °C
logP
-0.10Crippen estimate
Polar surface area
69.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Identifiers

CAS number
5142-22-3
SMILES
Cn1cnc2ncnc-2c1N
InChIKey
HPZMWTNATZPBIH-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3H,7H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 1H-Purin-6-amine, 1-methyl-
  • Adenine, 1-methyl-
  • 1-Methyl-1H-purin-6-amine
  • 1-Methyladenine
  • 1-Methyl-6-aminopurine
  • 6-Amino-1-methylpurine
  • NSC 70896
  • 1-Methylpurin-6-amine

Work with N1-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-Diaminopurine1904-98-930 % similar

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

Same formula

3-Methyladenine5142-23-4 9-Methyladenine700-00-5 7-Methyladenine935-69-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook