chempirical

Purmorphamine

C31H32N6O2CAS 483367-10-8520.64 g/mol

Open in Covalent MOL file
ONHNNONNN
EtherSecondary amineTertiary amine

Properties

Molecular formula
C31H32N6O2
Molar mass
520.64 g/mol
Exact mass
520.2587 Da
logP
6.86Crippen estimate
Polar surface area
77.3 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
6

Hazards

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

Identifiers

CAS number
483367-10-8
SMILES
c1ccc2c(Oc3nc(Nc4ccc(N5CCOCC5)cc4)c4ncn(C5CCCCC5)c4n3)cccc2c1
InChIKey
FYBHCRQFSFYWPY-UHFFFAOYSA-N
InChI
InChI=1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/h4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35)

Weigh it out

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

Names and synonyms

3 names
  • 9H-Purin-6-amine, 9-cyclohexyl-N-[4-(4-morpholinyl)phenyl]-2-(1-naphthalenyloxy)-
  • 9-Cyclohexyl-N-[4-(4-morpholinyl)phenyl]-2-(1-naphthalenyloxy)-9H-purin-6-amine
  • 2-(1-Naphthoxy)-6-(4-morpholinoanilino)-9-cyclohexylpurine

Work with Purmorphamine

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

Reversine656820-32-537 % similar Cyc-116693228-63-630 % similar Tgx-221663619-89-430 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook