HCID22036062

N,N-Di-Boc-5-(bromomethyl)pyrimidin-2-amine

tert-butyl N-[5-(bromomethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C15H22BrN3O4388.26 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(CBr)cn1
InChIKey: IJVHEEWVQYQBBN-UHFFFAOYSA-N
分子式: C15H22BrN3O4
平均分子量: 388.26 g/mol
单同位素质量: 387.07937

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 81.6 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 6
重原子: 23
形式电荷: 0
复杂度: 395

ALIASES

名称与别名

共 6 条

SCHEMBL6059163IJVHEEWVQYQBBN-UHFFFAOYSA-N305329-64-0SY477994N,N-Di-Boc-5-(bromomethyl)pyrimidin-2-amine5-bromomethyl-2-[N,N-bis(tert-butoxycarbonyl)amino]-pyrimidin

REACTIONS

参与反应

4 条

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-2006_07 · 10.6084/m9.figshare.5104873.v1 · US07071175B1

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uspto-grants-2006_07 · 10.6084/m9.figshare.5104873.v1 · US07071175B1

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