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Chemical structure of 2,4-Pyrimidinediamine with linker

GC33087

2,4-Pyrimidinediamine with linker

Also known as 2-N-[4-(3-aminopropylamino)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

2,4-Pyrimidinediamine with linker is a VEGFR2 inhibitor extracted from patent WO2013055780A1, Page 69

ChemicalCAS1430089-64-7MW364.45FormulaC19H24N8
CAS number
1430089-64-7
Molecular weight
364.45
Formula
C19H24N8
Solubility
DMSO : ≥ 46 mg/mL (126·22 mM)
InChIKey
UYYZTTPXKIYERF-UHFFFAOYSA-N
Catalogue number
GC33087
Brand
GLPBIO
Computed properties PubChem CID 90369695 · XLogP 3.1 · TPSA 117 Ų · H-bond donors 5
XLogP
3.1
TPSA
117 Ų
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
27

SMILES C1CC1C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NCCCN

Computed descriptors from PubChem (CID 90369695), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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