N-[4-[[3-(2-Amino-4-pyrimidinyl)-2-pyridinyl]oxy]phenyl]-4-(4-methyl-2-thienyl)-1-phthalazinamine

C₂₈H₂₁N₇OSCAS 945595-80-2503.58 g/mol

Open in Covalent MOL file

Ether Secondary amine

Properties

Molecular formula: C₂₈H₂₁N₇OS
Molar mass: 503.58 g/mol
Exact mass: 503.1528 Da
logP: 6.47Crippen estimate
Polar surface area: 112.5 Å²
H-bond donors / acceptors: 3 / 8
Rotatable bonds: 6

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

945595-80-2

SMILES

Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4cc[nH]c(=N)n4)cc3)c3ccccc23)c1

InChIKey

IVUGFMLRJOCGAS-UHFFFAOYSA-N

InChI

InChI=1S/C28H21N7OS/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23/h2-16H,1H3,(H,32,35)(H2,29,31,33)

Weigh it out

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

Names and synonyms

3 names

1-Phthalazinamine, N-[4-[[3-(2-amino-4-pyrimidinyl)-2-pyridinyl]oxy]phenyl]-4-(4-methyl-2-thienyl)-
AMG 900
N-(4-((3-(2-Amino-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1-phthalazinamine

Work with N-[4-[[3-(2-Amino-4-pyrimidinyl)-2-pyridinyl]oxy]phenyl]-4-(4-methyl-2-thienyl)-1-phthalazinamine

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

Elsewhere

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