2-chloro-5-propylpyrimidine - CAS 219555-98-3

Catalog:	BB017222
Product Name:	2-chloro-5-propylpyrimidine
CAS:	219555-98-3
Synonyms:	2-chloro-5-propylpyrimidine; 2-chloro-5-propylpyrimidine

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Computed Properties

IUPAC Name:	2-chloro-5-propylpyrimidine
Description:	2-chloro-5-propylpyrimidine (CAS# 219555-98-3) is a useful research chemical.
Molecular Weight:	156.61
Molecular Formula:	C7H9ClN2
Canonical SMILES:	CCCC1=CN=C(N=C1)Cl
InChI:	InChI=1S/C7H9ClN2/c1-2-3-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3
InChI Key:	WVPHBBSAPVBUGZ-UHFFFAOYSA-N
Boiling Point:	185-186 °C
Melting Point:	185-186 °C
Purity:	95 %
Density:	1.14 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00799403
LogP:	2.08250

Publication Number	Title	Priority Date
US-2021188845-A1	Substituted bicyclic compounds useful as t cell activators	20191223
WO-2021071837-A1	Gpr119 agonists	20191007
WO-2020051689-A1	Compounds and methods for treating nematode infections	20180912
EP-3468967-A1	Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of g protein-coupled receptor 119	20160609
AU-2017246996-A1	Thiazolopyridine derivatives as GPR119 agonists	20160408

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Related Functional Groups

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[13566-71-7]
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[1192570-20-9]
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[113583-35-0]
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[2252403-82-8]
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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

Complexity:	89.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.0454260
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.0454260
Rotatable Bond Count:	2
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5