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

Technical Data

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Computed Properties

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

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

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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

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