Ethyl 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoate

C19H18N4O2CAS 641569-97-3334.38 g/mol

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OONHNNN
EsterSecondary amine

Properties

Molecular formula
C19H18N4O2
Molar mass
334.38 g/mol
Exact mass
334.1430 Da
logP
3.77Crippen estimate
Polar surface area
77.0 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
5

Hazards

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

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Identifiers

CAS number
641569-97-3
SMILES
CCOC(=O)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1
InChIKey
SYTLMFJJRMLMIO-UHFFFAOYSA-N
InChI
InChI=1S/C19H18N4O2/c1-3-25-18(24)14-7-6-13(2)17(11-14)23-19-21-10-8-16(22-19)15-5-4-9-20-12-15/h4-12H,3H2,1-2H3,(H,21,22,23)

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Names and synonyms

3 names
  • Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, ethyl ester
  • 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid ethyl ester
  • Ethyl 4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoate

Work with Ethyl 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoate

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

Methyl 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoate917392-54-278 % similar 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoic acid641569-94-069 % similar Imatinib amine152460-10-160 % similar 4-(Chloromethyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)benzamide404844-11-759 % similar 2-(2-Methyl-5-nitroanilino)-4-(3-pyridyl)pyrimidine152460-09-857 % similar N-Desmethyl imatinib404844-02-655 % similar Imatinib152459-95-554 % similar 4-[(4-Methyl-4-oxidopiperazin-4-ium-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide571186-91-951 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pimobendan74150-27-9 Gdc-0879905281-76-7

Elsewhere

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