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

C₁₉H₁₈N₄O₂CAS 641569-97-3334.38 g/mol

Open in Covalent MOL file

Ester Secondary 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 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 5

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

2 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

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 6-Methyl-N-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine152460-10-160 % similar N-(2-Methyl-5-nitrophenyl)-4-(3-pyridinyl)-2-pyrimidinamine152460-09-857 % similar Imatinib152459-95-554 % similar Imatinib mesylate220127-57-148 % similar Nilotinib641571-10-047 % similar Ethyl 4-bromo-3-methylbenzoate160313-69-942 % similar Mocetinostat726169-73-941 % similar

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

Same formula

Pimobendan74150-27-9

Elsewhere

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