5-Acetyl-4,6-dichloropyrimidine - CAS 60025-06-1
Catalog: |
BB030583 |
Product Name: |
5-Acetyl-4,6-dichloropyrimidine |
CAS: |
60025-06-1 |
Synonyms: |
1-(4,6-dichloro-5-pyrimidinyl)ethanone; 1-(4,6-dichloropyrimidin-5-yl)ethanone |
IUPAC Name: | 1-(4,6-dichloropyrimidin-5-yl)ethanone |
Description: | 5-Acetyl-4,6-dichloropyrimidine (CAS# 60025-06-1) is a useful research chemical. |
Molecular Weight: | 191.01 |
Molecular Formula: | C6H4Cl2N2O |
Canonical SMILES: | CC(=O)C1=C(N=CN=C1Cl)Cl |
InChI: | InChI=1S/C6H4Cl2N2O/c1-3(11)4-5(7)9-2-10-6(4)8/h2H,1H3 |
InChI Key: | AMOPGZSOKQKCHT-UHFFFAOYSA-N |
LogP: | 1.98600 |
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 |
WO-2021201574-A1 | Method for producing compound as pi3k inhibitor, and intermediate compound for production thereof | 20200331 |
WO-2021123798-A1 | 1h-pyrazolo[3,4-d]pyrimidine compounds useful for the treatment of platinum-resistant cancer | 20191219 |
CN-112480116-A | PKB inhibitors | 20190911 |
WO-2020156437-A1 | Akt inhibitor | 20190129 |
CN-113272304-A | AKT inhibitors | 20190129 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.9700681 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.9700681 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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