5-Chloro-1H-pyrazolo[4,3-D]pyrimidine - CAS 633328-98-0
Catalog: |
BB069794 |
Product Name: |
5-Chloro-1H-pyrazolo[4,3-D]pyrimidine |
CAS: |
633328-98-0 |
Synonyms: |
5-Chloro-1H-pyrazolo[4,3-d]pyrimidine; 1H-Pyrazolo[4,3-d]pyrimidine, 5-chloro-; 5-Chloro-2H-pyrazolo[4,3-d]pyrimidine; 5-Chloropyrazolo[4,3-d]pyrimidine |
IUPAC Name: | 5-chloro-1H-pyrazolo[4,3-d]pyrimidine |
Description: | 5-Chloro-1H-pyrazolo[4,3-D]pyrimidine is used in preparation of pyrimidine derivatives and related heterocycles as DNA-dependent protein kinase inhibitors for treatment of diseases. |
Molecular Weight: | 154.56 |
Molecular Formula: | C5H3ClN4 |
Canonical SMILES: | C1=C2C(=NC(=N1)Cl)C=NN2 |
InChI: | InChI=1S/C5H3ClN4/c6-5-7-1-4-3(9-5)2-8-10-4/h1-2H,(H,8,10) |
InChI Key: | MRTKTXTWOUDUTL-UHFFFAOYSA-N |
References: | Zhang, X., et al. PCT Int. Appl., (2020). |
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: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.0046238 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0046238 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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