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2-Chloro-9-methyl-6-morpholino-9H-purine-8-carbaldehyde

2-Chloro-9-methyl-6-morpholino-9H-purine-8-carbaldehyde - CAS 1148003-33-1

Catalog:	BB003434
Product Name:	2-Chloro-9-methyl-6-morpholino-9H-purine-8-carbaldehyde
CAS:	1148003-33-1
Synonyms:	2-chloro-9-methyl-6-(4-morpholinyl)-8-purinecarboxaldehyde; 2-chloro-9-methyl-6-morpholin-4-ylpurine-8-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-9-methyl-6-morpholin-4-ylpurine-8-carbaldehyde
Description:	2-Chloro-9-methyl-6-morpholino-9H-purine-8-carbaldehyde (CAS# 1148003-33-1 ) is a useful research chemical.
Molecular Weight:	281.70
Molecular Formula:	C11H12ClN5O2
Canonical SMILES:	CN1C(=NC2=C1N=C(N=C2N3CCOCC3)Cl)C=O
InChI:	InChI=1S/C11H12ClN5O2/c1-16-7(6-18)13-8-9(16)14-11(12)15-10(8)17-2-4-19-5-3-17/h6H,2-5H2,1H3
InChI Key:	SUTRBEZVZHHHIW-UHFFFAOYSA-N
LogP:	0.73080

Publication Number	Title	Priority Date
AU-2016242080-A1	6-morpholinyl-2-pyrazolyl-9H-purine derivatives and their use as PI3K inhibitors	20150330
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
ES-2733505-T3	6-Morpholinyl-2-pyrazolyl-9H-purine derivatives and their use as PI3K inhibitors	20150330
JP-2018510146-A	6-morpholinyl-2-pyrazolyl-9H-purine derivatives and their use as PI3K inhibitors	20150330

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Complexity:	341
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	281.0679523
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	281.0679523
Rotatable Bond Count:	2
Topological Polar Surface Area:	73.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9