2-chloro-4-isopropylpyrimidine - CAS 941294-36-6

Catalog:	BB041204
Product Name:	2-chloro-4-isopropylpyrimidine
CAS:	941294-36-6
Synonyms:	2-chloro-4-propan-2-ylpyrimidine; 2-chloro-4-propan-2-ylpyrimidine

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Computed Properties

IUPAC Name:	2-chloro-4-propan-2-ylpyrimidine
Description:	2-chloro-4-isopropylpyrimidine (CAS# 941294-36-6) is used as a reactant in the preparation of arylamino-azaspiro-oxazole octanes as α7 nicotinic agonists.
Molecular Weight:	156.61
Molecular Formula:	C7H9ClN2
Canonical SMILES:	CC(C)C1=NC(=NC=C1)Cl
InChI:	InChI=1S/C7H9ClN2/c1-5(2)6-3-4-9-7(8)10-6/h3-5H,1-2H3
InChI Key:	AOZNIFQUCUSYLD-UHFFFAOYSA-N
Boiling Point:	247.7 °C at 760 mmHg
Purity:	95 %
Density:	1.135 g/cm³
LogP:	2.25340

Publication Number	Title	Priority Date
US-2021053989-A1	Pyrimidine-fused cyclic compound, preparation method therefor and application thereof	20180213
CN-109843868-A	The active inhibition of OLIG2	20160826
US-10646488-B2	Conjugates of cereblon binding compounds and G12C mutant KRAS, HRAS or NRAS protein modulating compounds and methods of use thereof	20160713
AU-2017217542-A1	Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators	20160210
CA-3014314-A1	Substituted 1,2,3-triazoles as nr2b-selective nmda modulators	20160210

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Related Functional Groups

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GHS Hazard Statement:	H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	106
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:	1
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3