chempirical

7-Deazaadenine

C6H6N4CAS 1500-85-2134.14 g/mol

Open in Covalent MOL file
NH2NNHN
Primary amine

Properties

Molecular formula
C6H6N4
Molar mass
134.14 g/mol
Exact mass
134.0592 Da
Melting point
254–255 °C
logP
0.49Crippen estimate
Polar surface area
67.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Identifiers

CAS number
1500-85-2
SMILES
Nc1nc[nH]c2nccc1-2
InChIKey
PEHVGBZKEYRQSX-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N4/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H3,7,8,9,10)

Weigh it out

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

Names and synonyms

5 names
  • 7H-Pyrrolo[2,3-d]pyrimidin-4-amine
  • 1H-Pyrrolo[2,3-d]pyrimidine, 4-amino-
  • 4-Aminopyrrolo[2,3-d]pyrimidine
  • 7H-Pyrrolo[2,3-d]pyrimidine, 4-amino-
  • 1H-Pyrrolo[2,3-d]pyrimidin-4-amine

Work with 7-Deazaadenine

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

4-Chloro-7H-pyrrolo[2,3-D]pyrimidine3680-69-155 % similar Adenine73-24-548 % similar Adenine hydrochloride2922-28-344 % similar 4,5,6-Pyrimidinetriamine118-70-739 % similar 4-Fluoro-1H-pyrrolo[2,3-B]pyridine640735-23-539 % similar 1H-Pyrrolo[2,3-B]pyridin-4-ol74420-02-339 % similar 4-Chloro-5-fluoro-1H-pyrrolo[2,3-B]pyridine882033-66-139 % similar Adenine sulfate321-30-238 % similar

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

Same formula

1-Aminobenzotriazole1614-12-6 2,2′-Biimidazole492-98-8 4-Amino-2-methyl-5-pyrimidinecarbonitrile698-29-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook