N-Methyl-6-(4-nitrophenoxy)-4-pyrimidinamine - CAS 1069112-52-2
Catalog: |
BB056366 |
Product Name: |
N-Methyl-6-(4-nitrophenoxy)-4-pyrimidinamine |
CAS: |
1069112-52-2 |
Synonyms: |
4-Pyrimidinamine, N-methyl-6-(4-nitrophenoxy)-; N-methyl-6-(4-nitrophenoxy)pyrimidin-4-amine |
IUPAC Name: | N-methyl-6-(4-nitrophenoxy)pyrimidin-4-amine |
Description: | N-Methyl-6-(4-nitrophenoxy)-4-pyrimidinamine is an intermediate in the synthesis of N-[4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-N'-[4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]urea (E926495), which is an inhibitor of RET, FLT3, KDR, c-Abl and c-Kit. Also, it prevent the growth of human thyroid cancer cells. |
Molecular Weight: | 246.22 |
Molecular Formula: | C11H10N4O3 |
Canonical SMILES: | CNC1=CC(=NC=N1)OC2=CC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C11H10N4O3/c1-12-10-6-11(14-7-13-10)18-9-4-2-8(3-5-9)15(16)17/h2-7H,1H3,(H,12,13,14) |
InChI Key: | KORPRCBLGDHSOO-UHFFFAOYSA-N |
References: | Weisberg, E., et al. Genes Cancer, 1, 1021-1032 (2010). |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.07529019 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.07529019 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 92.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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