5-Bromo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine - CAS 1337532-51-0
Catalog: |
BB072078 |
Product Name: |
5-Bromo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
CAS: |
1337532-51-0 |
Synonyms: |
5-Bromo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine; 5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine; 5-Bromo-7-methyl-7H-pyrrolo-[2,3-d]pyrimidin-4-amine |
IUPAC Name: | 5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine |
Description: | Used in the preparation of indoline derivatives as PERK inhibitors. |
Molecular Weight: | 227.06 |
Molecular Formula: | C7H7BrN4 |
Canonical SMILES: | CN1C=C(C2=C(N=CN=C21)N)Br |
InChI: | InChI=1S/C7H7BrN4/c1-12-2-4(8)5-6(9)10-3-11-7(5)12/h2-3H,1H3,(H2,9,10,11) |
InChI Key: | SCHJLAFNBDGWJN-UHFFFAOYSA-N |
Melting Point: | >184°C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Dark Yellow Solid |
Storage: | -20°C |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.98541 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.98541 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 56.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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