2,4-Dichloro-6-morpholinopyrimidine - CAS 52127-83-0

Catalog:	BB027719
Product Name:	2,4-Dichloro-6-morpholinopyrimidine
CAS:	52127-83-0
Synonyms:	4-(2,6-dichloro-4-pyrimidinyl)morpholine; 4-(2,6-dichloropyrimidin-4-yl)morpholine

Technical Data

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Computed Properties

IUPAC Name:	4-(2,6-dichloropyrimidin-4-yl)morpholine
Description:	A reactant used in the preparation of α-azinylalkylamino-substituted pyrimidines as JAK2 inhibitors.
Molecular Weight:	234.08
Molecular Formula:	C8H9Cl2N3O
Canonical SMILES:	C1COCCN1C2=CC(=NC(=N2)Cl)Cl
InChI:	InChI=1S/C8H9Cl2N3O/c9-6-5-7(12-8(10)11-6)13-1-3-14-4-2-13/h5H,1-4H2
InChI Key:	QGGYMWHOBGSQCF-UHFFFAOYSA-N
Boiling Point:	396.137 °C at 760 mmHg
Density:	1.435 g/cm³
Solubility:	Other solvents(Soluble) : Toluene
Appearance:	Solid
LogP:	1.68500

Publication Number	Title	Priority Date
WO-2021081375-A1	Inhibitors of raf kinases	20191024
US-11098031-B1	Inhibitors of RAF kinases	20191024
US-2021300904-A1	Inhibitors of raf kinases	20191024
WO-2020009971-A1	Pikfyve inhibitors	20180705
AU-2019299234-A1	PIKfyve inhibitors	20180705

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.0122673
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	233.0122673
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2