6-[Bis(Boc)amino]purine - CAS 309947-86-2

Catalog:	BB020778
Product Name:	6-[Bis(Boc)amino]purine
CAS:	309947-86-2
Synonyms:	N-[(2-methylpropan-2-yl)oxy-oxomethyl]-N-(7H-purin-6-yl)carbamic acid tert-butyl ester; tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate
Description:	6-[Bis(Boc)amino]purine (CAS# 309947-86-2) is a useful research chemical.
Molecular Weight:	335.36
Molecular Formula:	C15H21N5O4
Canonical SMILES:	CC(C)(C)OC(=O)N(C1=NC=NC2=C1NC=N2)C(=O)OC(C)(C)C
InChI:	InChI=1S/C15H21N5O4/c1-14(2,3)23-12(21)20(13(22)24-15(4,5)6)11-9-10(17-7-16-9)18-8-19-11/h7-8H,1-6H3,(H,16,17,18,19)
InChI Key:	WNOSWAQZBWMIGM-UHFFFAOYSA-N
MDL:	MFCD17676144
LogP:	3.02950

Publication Number	Title	Priority Date
WO-2021053617-A1	Mll1 inhibitors and anti-cancer agents	20190920
WO-2021026803-A1	Piperidinyl-methyl-purineamines as nsd2 inhibitors and anti-cancer agents	20190814
WO-2020121122-A1	Cyclobutyl nucleoside analogs as anti-virals	20181212
WO-2020121123-A2	Cyclopentyl nucleoside analogs as anti-virals	20181212
EP-3894394-A1	Cyclobutyl nucleoside analogs as anti-virals	20181212

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Complexity:	457
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	335.15935417
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	335.15935417
Rotatable Bond Count:	5
Topological Polar Surface Area:	110
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4