chempirical

N-(Phenylmethyl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-amine

C17H19N5OCAS 2312-73-4309.37 g/mol

Open in Covalent MOL file
HNNNNNO
EtherSecondary amine

Properties

Molecular formula
C17H19N5O
Molar mass
309.37 g/mol
Exact mass
309.1590 Da
Density
1.27 g/mL
Melting point
108–110 °C
logP
3.14Crippen estimate
Polar surface area
64.9 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Identifiers

CAS number
2312-73-4
SMILES
c1ccc(CNc2ncnc3c2ncn3C2CCCCO2)cc1
InChIKey
POFWRMVFWIJXHP-UHFFFAOYSA-N
InChI
InChI=1S/C17H19N5O/c1-2-6-13(7-3-1)10-18-16-15-17(20-11-19-16)22(12-21-15)14-8-4-5-9-23-14/h1-3,6-7,11-12,14H,4-5,8-10H2,(H,18,19,20)

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Names and synonyms

14 names · show all
  • 9H-Purin-6-amine, N-(phenylmethyl)-9-(tetrahydro-2H-pyran-2-yl)-
  • Adenine, N-benzyl-9-(tetrahydro-2H-pyran-2-yl)-
  • Adenine, N-benzyl-9-(tetrahydropyran-2-yl)-
  • SD 8339
  • 6-(Benzylamino)-9-(2-tetrahydropyranyl)-9H-purine
  • N6-Benzyl-9-(tetrahydropyranyl)adenine
  • 6-(Benzylamino)-9-(2-tetrahydropyranyl)purine
  • PBA
  • BPA
  • 6-(Benzylamine)-9-(2-tetrahydropyranyl)-9H-purine
  • PBA (growth stimulant)
  • ABG 3039
  • N6-Benzyl-9-(2-tetrahydropyranyl)adenine
  • Acell

Work with N-(Phenylmethyl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-amine

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

6-Chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine7306-68-560 % similar Benzyladenosine4294-16-054 % similar Kinetin riboside4338-47-038 % similar Adenosine, N-[(5-bromo-2-thienyl)methyl]-1706525-09-836 % similar 2′-Deoxy-N6-methyladenosine2002-35-935 % similar 6-Benzylaminopurine1214-39-735 % similar Dideoxyadenosine4097-22-733 % similar Didanosine69655-05-633 % similar

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

Elsewhere

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