2-Chloro-5-isopropylpyrimidine - CAS 596114-50-0

Catalog:	BB030433
Product Name:	2-Chloro-5-isopropylpyrimidine
CAS:	596114-50-0
Synonyms:	2-chloro-5-propan-2-ylpyrimidine; 2-chloro-5-propan-2-ylpyrimidine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-5-propan-2-ylpyrimidine
Description:	2-Chloro-5-isopropylpyrimidine (CAS# 596114-50-0) is a useful research chemical.
Molecular Weight:	156.61
Molecular Formula:	C7H9ClN2
Canonical SMILES:	CC(C)C1=CN=C(N=C1)Cl
InChI:	InChI=1S/C7H9ClN2/c1-5(2)6-3-9-7(8)10-4-6/h3-5H,1-2H3
InChI Key:	QFLAUXDLHKYUIA-UHFFFAOYSA-N
Boiling Point:	247.7 °C at 760 mmHg
Density:	1.135 g/cm³
MDL:	MFCD11109833
LogP:	2.25340

Publication Number	Title	Priority Date
WO-2021057882-A1	Egfr inhibitor, composition and preparation method therefor	20190926
US-2021299126-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20180723
US-2020392138-A1	Pesticidally active mesoionic heterocyclic compounds	20171213
WO-2019104418-A1	Compounds containing polysubstituted 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	20171130
US-2021188825-A1	Compounds containing polysubstituted 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	20171130

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Complexity:	97.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.045426
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.045426
Rotatable Bond Count:	1
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3