2-Chloro-4-(chloromethyl)pyrimidine - CAS 944902-31-2
Catalog: |
BB041367 |
Product Name: |
2-Chloro-4-(chloromethyl)pyrimidine |
CAS: |
944902-31-2 |
Synonyms: |
2-chloro-4-(chloromethyl)pyrimidine; 2-chloro-4-(chloromethyl)pyrimidine |
IUPAC Name: | 2-chloro-4-(chloromethyl)pyrimidine |
Description: | 2-Chloro-4-(chloromethyl)pyrimidine (CAS# 944902-31-2) is a useful research chemical. |
Molecular Weight: | 163.00 |
Molecular Formula: | C5H4Cl2N2 |
Canonical SMILES: | C1=CN=C(N=C1CCl)Cl |
InChI: | InChI=1S/C5H4Cl2N2/c6-3-4-1-2-8-5(7)9-4/h1-2H,3H2 |
InChI Key: | HNHVCSCFJSKSQK-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.86880 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020198710-A1 | Pharmaceutical compositions and combinations comprising inhibitors of the androgen receptor and uses thereof | 20190328 |
WO-2020198711-A1 | Androgen receptor modulators and methods for use as proteolysis targeting chimera ligands | 20190328 |
WO-2020079205-A1 | New amino-pyrimidonyl-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them | 20181019 |
TW-202028188-A | New amino-pyrimidonyl-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them | 20181019 |
CN-113038990-A | Novel amino-pyrimidinone-piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them | 20181019 |
Complexity: | 89 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.9751535 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.9751535 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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