3-Methyladenine

C6H7N5CAS 5142-23-4149.16 g/mol

Open in Covalent MOL file
NNNH2NN
Primary amine

Properties

Molecular formula
C6H7N5
Molar mass
149.16 g/mol
Exact mass
149.0701 Da
Melting point
300 °C
logP
-0.10Crippen estimate
Polar surface area
69.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
5142-23-4
SMILES
Cn1cnc(N)c2ncnc1-2
InChIKey
FSASIHFSFGAIJM-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3

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Names and synonyms

9 names
  • 3H-Purin-6-amine, 3-methyl-
  • Adenine, 3-methyl-
  • 3-Methyl-3H-purin-6-amine
  • N3-Methyladenine
  • 6-Amino-3-methylpurine
  • 3-Methyl-6-aminopurine
  • NSC 66389
  • 3-Methyl-3H-purin-6-ylamine
  • 3-Methylpurin-6-amine

Work with 3-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

5-Amino-3-methyl-3H-imidazole-4-carboxylic acid ethyl ester61982-18-136 % similar Adenine73-24-536 % similar 2-Chloroadenine1839-18-533 % similar 6-Chloro-9-methylpurine2346-74-933 % similar Adenine hydrochloride2922-28-333 % similar 1-Methyl-1H-benzimidazol-6-amine26530-93-833 % similar 1-Methyl-1H-imidazol-2-amine6646-51-131 % similar 4,5-Dibromo-1-methyl-1H-imidazole1003-50-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N1-Methyladenine5142-22-3 9-Methyladenine700-00-5 7-Methyladenine935-69-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook