chempirical

6-[[5-Fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-2H-pyrido[3,2-B]-1,4-oxazin-3(4H)-one

C22H23FN6O5CAS 841290-80-0470.46 g/mol

Open in Covalent MOL file
ONHNFNHNHNOONOO
Aryl halideEtherSecondary amine

Properties

Molecular formula
C22H23FN6O5
Molar mass
470.46 g/mol
Exact mass
470.1714 Da
logP
3.70Crippen estimate
Polar surface area
135.5 Ų
H-bond donors / acceptors
3 / 9
Rotatable bonds
6

Identifiers

CAS number
841290-80-0
SMILES
COc1cc(Nc2ncc(F)c(N=c3ccc4c([nH]3)N=C(O)C(C)(C)O4)n2)cc(OC)c1OC
InChIKey
NHHQJBCNYHBUSI-UHFFFAOYSA-N
InChI
InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)

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Names and synonyms

5 names
  • 2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-
  • R 406
  • Tamatinib
  • R 406 (Free base)
  • Tamatinib (free base)

Work with 6-[[5-Fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-2H-pyrido[3,2-B]-1,4-oxazin-3(4H)-one

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

Fostamatinib901119-35-561 % similar 2,2-Dimethyl-2H-pyrido[3,2-B]-1,4-oxazin-3(4H)-one20348-21-433 % similar Alisertib1028486-01-230 % similar

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

Elsewhere

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