N1-[2-(Dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]-2-nitro-1,4-benzenediamine

C₂₅H₂₉N₇O₃CAS 1421372-67-9475.55 g/mol

Open in Covalent MOL file

Ether Nitro Secondary amine Tertiary amine

Properties

Molecular formula: C₂₅H₂₉N₇O₃
Molar mass: 475.55 g/mol
Exact mass: 475.2332 Da
logP: 4.29Crippen estimate
Polar surface area: 101.6 Å²
H-bond donors / acceptors: 1 / 8
Rotatable bonds: 9

Identifiers

CAS number

1421372-67-9

SMILES

COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(C)c3ccccc23)n1

InChIKey

PKEPAQKEINNCAB-UHFFFAOYSA-N

InChI

InChI=1S/C25H29N7O3/c1-29(2)12-13-30(3)22-15-24(35-5)20(14-23(22)32(33)34)28-25-26-11-10-19(27-25)18-16-31(4)21-9-7-6-8-17(18)21/h6-11,14-16H,12-13H2,1-5H3,(H,26,27,28)

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

Names and synonyms

2 names

1,4-Benzenediamine, N1-[2-(dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]-2-nitro-
1,4-Benzenediamine N1-[2-(dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]-2-nitro-

Work with N1-[2-(Dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]-2-nitro-1,4-benzenediamine

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

Mutated egfr-in-11421372-66-877 % similar N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine1421372-94-272 % similar Osimertinib1421373-65-067 % similar Osimertinib mesylate1421373-66-162 % similar Az-51041421373-98-952 % similar Tak-7881847461-43-151 % similar 3-(2-Chloropyrimidin-4-yl)-1-methyl-1H-indole1032452-86-037 % similar N-(2-Methyl-5-nitrophenyl)-4-(3-pyridinyl)-2-pyrimidinamine152460-09-831 % similar

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

Elsewhere

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