2-Chloro-4-isopropoxypyrimidine - CAS 1250967-81-7
Catalog: |
BB006063 |
Product Name: |
2-Chloro-4-isopropoxypyrimidine |
CAS: |
1250967-81-7 |
Synonyms: |
2-chloro-4-propan-2-yloxypyrimidine; 2-chloro-4-propan-2-yloxypyrimidine |
IUPAC Name: | 2-chloro-4-propan-2-yloxypyrimidine |
Description: | 2-Chloro-4-isopropoxypyrimidine (CAS# 1250967-81-7) is a reagent in the preparation of triazolyl derivatives as Syk inhibitors for therapy. |
Molecular Weight: | 172.61 |
Molecular Formula: | C7H9ClN2O |
Canonical SMILES: | CC(C)OC1=NC(=NC=C1)Cl |
InChI: | InChI=1S/C7H9ClN2O/c1-5(2)11-6-3-4-9-7(8)10-6/h3-5H,1-2H3 |
InChI Key: | NWKPCTJWFJSBAY-UHFFFAOYSA-N |
LogP: | 1.91720 |
Publication Number | Title | Priority Date |
WO-2019126089-A1 | Cyclohexyl acid pyrazole azines as lpa antagonists | 20171219 |
WO-2019126093-A1 | Cyclohexyl acid triazole azines as lpa antagonists | 20171219 |
AU-2018392324-A1 | Cyclohexyl acid triazole azines as LPA antagonists | 20171219 |
CN-112055710-A | Cyclohexyl acid pyrazole azines as LPA antagonists | 20171219 |
CN-112055711-A | Cyclohexyl acid triazole azines as LPA antagonists | 20171219 |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.0403406 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.0403406 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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