chempirical

Imatinib amine

C16H15N5CAS 152460-10-1277.33 g/mol

Open in Covalent MOL file
NH2NHNNN
Primary amineSecondary amine

Properties

Molecular formula
C16H15N5
Molar mass
277.33 g/mol
Exact mass
277.1327 Da
Melting point
137–139 °C
logP
3.17Crippen estimate
Polar surface area
76.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

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
152460-10-1
SMILES
Cc1ccc(N)cc1Nc1nccc(-c2cccnc2)n1
InChIKey
QGAIPGVQJVGBIA-UHFFFAOYSA-N
InChI
InChI=1S/C16H15N5/c1-11-4-5-13(17)9-15(11)21-16-19-8-6-14(20-16)12-3-2-7-18-10-12/h2-10H,17H2,1H3,(H,19,20,21)

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Names and synonyms

16 names · show all
  • 6-Methyl-N-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine
  • 1,3-Benzenediamine, 4-methyl-N3-[4-(3-pyridinyl)-2-pyrimidinyl]-
  • 4-Methyl-N3-[4-(3-pyridinyl)-2-pyrimidinyl]-1,3-benzenediamine
  • N-(5-Amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine
  • 4-Methyl-3-[4-(3-pyridyl)pyrimidin-2-ylamino]aniline
  • 4-Methyl-N′-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine
  • N-(5-Amino-2-methylphenyl)-4-(pyridin-3-yl)pyrimidin-2-ylamine
  • N-(5-Amino-2-methylphenyl)-6-(pyridin-3-yl)-2-pyrimidinamine
  • 4-Methyl-N3-[4-(pyridin-3-yl)pyrimidin-2-yl]-1,3-benzenediamine
  • N-(5-Amino-2-methylphenyl)-N-[4-(3-pyridyl)pyrimidin-2-yl]amine
  • N-(5-Amino-2-methylphenyl)[4-(3-pyridyl)-2-pyrimidinyl]amine
  • N-(5-Amino-2-methylphenyl)-4-(3-pyridyl)pyrimidin-2-amine
  • 4-Methyl-3-[4-(3-pyridinyl)pyrimidin-2-ylamino]aniline
  • N-(2-Methyl-5-aminophenyl)-4-(pyridin-3-yl)pyrimidin-2-amine
  • 1,3-Benzenediamine 4-methyl-N3-[4-(3-pyridinyl)-2-pyrimidinyl]-
  • 4-Methyl-N3-[4-(3-pyridinyl)-2-pyrimidin-yl]-1,3-benzenediamine

Work with Imatinib 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

2-(2-Methyl-5-nitroanilino)-4-(3-pyridyl)pyrimidine152460-09-865 % similar 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoic acid641569-94-065 % similar Methyl 4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]benzoate917392-54-263 % similar Ethyl 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoate641569-97-360 % similar 4-(Chloromethyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)benzamide404844-11-754 % similar N-Desmethyl imatinib404844-02-651 % similar Imatinib152459-95-550 % similar 4-(Pyridin-3-yl)pyrimidin-2-amine66521-66-250 % similar

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

Elsewhere

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