6-Amino-9-(tetrahydropyran-2-yl)-9H-purine - CAS 7306-67-4

Catalog:	BB034751
Product Name:	6-Amino-9-(tetrahydropyran-2-yl)-9H-purine
CAS:	7306-67-4
Synonyms:	9-(2-oxanyl)-6-purinamine; 9-(oxan-2-yl)purin-6-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	9-(oxan-2-yl)purin-6-amine
Description:	6-Amino-9-(tetrahydropyran-2-yl)-9H-purine (CAS# 7306-67-4) is a useful research chemical.
Molecular Weight:	219.24
Molecular Formula:	C10H13N5O
Canonical SMILES:	C1CCOC(C1)N2C=NC3=C2N=CN=C3N
InChI:	InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-16-7/h5-7H,1-4H2,(H2,11,12,13)
InChI Key:	ATNWAGKQIUHFQP-UHFFFAOYSA-N
Boiling Point:	477.7 °C at 760 mmHg
Density:	1.6 g/cm³
LogP:	1.68880

Publication Number	Title	Priority Date
WO-2017191608-A1	Novel process for preparation of idelalisib	20160505
JP-2017515848-A	Heterocyclic hydroxamic acids as protein deacetylase inhibitors and protein deacetylase-protein kinase dual inhibitors and methods of use thereof	20140514
JP-6803235-B2	Heterocyclic hydroxamic acid as a protein deacetylase inhibitor and a protein deacetylase-protein kinase double inhibitor and how to use it	20140514
WO-2015095601-A1	Process methods for phosphatidylinositol 3-kinase inhibitors	20131220
EP-2673269-A1	Heterocyclic compounds as pi3 kinase inhibitors	20110209

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Related Functional Groups

Purines

[75737-39-2]
m-Methoxytopolin
[1214-39-7]
N6-Benzyladenine
[177966-67-5]
N6-Isopentenyladenine hydrochloride
[148238-36-2]
9-(prop-2-yn-1-yl)-9H-purin-6-amine
[20755-15-1]
2-Amino-7-benzyl-1,7-dihydro-6H-purin-6-one hydrochloride
[853029-57-9]
8-bromo-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.11201006
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.11201006
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.8 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8