chempirical

Olmutinib

C26H26N6O2SCAS 1353550-13-6486.59 g/mol

Open in Covalent MOL file
OHNONHNNNNS
AlkeneEtherSecondary amineTertiary amine

Properties

Molecular formula
C26H26N6O2S
Molar mass
486.59 g/mol
Exact mass
486.1838 Da
logP
5.75Crippen estimate
Polar surface area
86.1 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
7

Identifiers

CAS number
1353550-13-6
SMILES
C=CC(O)=Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1
InChIKey
FDMQDKQUTRLUBU-UHFFFAOYSA-N
InChI
InChI=1S/C26H26N6O2S/c1-3-23(33)27-19-5-4-6-21(17-19)34-25-24-22(11-16-35-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)

Weigh it out

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

Names and synonyms

4 names
  • 2-Propenamide, N-[3-[[2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy]phenyl]-
  • N-[3-[[2-[[4-(4-Methyl-1-piperazinyl)phenyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy]phenyl]-2-propenamide
  • HM 61713
  • BI 1482694

Work with Olmutinib

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

N-[3-[[5-Chloro-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]thio]phenyl]-2-propenamide1214265-57-255 % similar Wz31461214265-56-150 % similar Wz40021213269-23-840 % similar Adavosertib955365-80-731 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook