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 |
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 |
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 |
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Amines and Anilines
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