2-Chloro-6-morpholino-9H-purine - CAS 4010-81-5

Catalog:	BB024313
Product Name:	2-Chloro-6-morpholino-9H-purine
CAS:	4010-81-5
Synonyms:	4-(2-chloro-7H-purin-6-yl)morpholine; 4-(2-chloro-7H-purin-6-yl)morpholine

Technical Data

Patents

Computed Properties

IUPAC Name:	4-(2-chloro-7H-purin-6-yl)morpholine
Description:	2-Chloro-6-morpholino-9H-purine (CAS# 4010-81-5 ) is a useful research chemical.
Molecular Weight:	239.66
Molecular Formula:	C9H10ClN5O
Canonical SMILES:	C1COCCN1C2=NC(=NC3=C2NC=N3)Cl
InChI:	InChI=1S/C9H10ClN5O/c10-9-13-7-6(11-5-12-7)8(14-9)15-1-3-16-4-2-15/h5H,1-4H2,(H,11,12,13,14)
InChI Key:	SADWLAUYKSMNMQ-UHFFFAOYSA-N
Boiling Point:	373.3 °C at 760 mmHg
Density:	1.74 g/cm³
LogP:	0.90790

Publication Number	Title	Priority Date
CN-111875606-A	Purine compound obtained based on virtual docking and preparation method and application thereof	20200720
CN-112707907-A	Novel purine derivative and intermediate thereof and application of purine derivative in preparation of anti-cancer drugs	20191024
WO-2021078141-A1	Novel purine derivative, intermediate and application thereof in preparing anticancer medicine	20191024
EP-3277682-A1	6-morpholinyl-2-pyrazolyl-9h-purine derivatives and their use as pi3k inhibitors	20150330
EP-3277682-B1	6-morpholinyl-2-pyrazolyl-9h-purine derivatives and their use as pi3k inhibitors	20150330

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2-Chloro-9H-purine
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Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.0573877
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.0573877
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1