Di-tert-butyl 7H-purin-6-yl-2-imidodicarbonate

C₁₅H₂₁N₅O₄CAS 309947-86-2335.36 g/mol

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Properties

Molecular formula: C₁₅H₂₁N₅O₄
Molar mass: 335.36 g/mol
Exact mass: 335.1594 Da
logP: 3.03Crippen estimate
Polar surface area: 110.3 Å²
H-bond donors / acceptors: 1 / 7
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

309947-86-2

SMILES

CC(C)(C)OC(=O)N(C1=NC=NC2=C1NC=N2)C(=O)OC(C)(C)C

InChIKey

WNOSWAQZBWMIGM-UHFFFAOYSA-N

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)

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Names and synonyms

1 names

Di-tert-butyl 9H-purin-6-ylimidodicarbonate

Work with Di-tert-butyl 7H-purin-6-yl-2-imidodicarbonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

tert-Butyl 4,6-dihydropyrrolo(3,4-c)pyrazole-5(1H)-carboxylate1280210-79-837 % similar tert-Butyl 4,6-dihydropyrrolo(3,4-c)pyrazole-5(1H)-carboxylate657428-42-737 % similar Imidodicarbonic acid, 2-[5-bromo-3-[[(4-methylphenyl)sulfonyl]oxy]-2-pyridinyl]-, 1,3-bis(1,1-dimethylethyl) ester1803573-21-836 % similar tert-Butyl 6,7-dihydro-1H-pyrazolo[4,3-C]pyridine-5(4H)-carboxylate230301-11-835 % similar 6-Benzamidopurine4005-49-635 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-734 % similar 1-Boc-hexahydro-1H-azepin-4-amine196613-57-734 % similar 6-Benzyloxypurine57500-07-934 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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