6-Chloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine - CAS 871254-63-6
Catalog: |
BB038281 |
Product Name: |
6-Chloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine |
CAS: |
871254-63-6 |
Synonyms: |
6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine; 6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine |
IUPAC Name: | 6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine |
Description: | 6-Chloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine (CAS# 871254-63-6 ) is a useful research chemical. |
Molecular Weight: | 168.584 |
Molecular Formula: | C6H5ClN4 |
Canonical SMILES: | CC1=C2C=NC(=NC2=NN1)Cl |
InChI: | InChI=1S/C6H5ClN4/c1-3-4-2-8-6(7)9-5(4)11-10-3/h2H,1H3,(H,8,9,10,11) |
InChI Key: | GAIAJUYBHMCMHP-UHFFFAOYSA-N |
LogP: | 1.31470 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20200028939-A | ALK2 kinase inhibitors containing imidazole | 20170615 |
AU-2017302635-A1 | Chemokine receptor modulators and uses thereof | 20160729 |
CA-3032133-A1 | Chemokine receptor modulators and uses thereof | 20160729 |
EP-3490565-A1 | Chemokine receptor modulators and uses thereof | 20160729 |
JP-2019525962-A | Chemokine receptor modulator and use thereof | 20160729 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.0202739 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.0202739 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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