HCID14727765

5-benzyl-2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine

5-benzyl-2,4-dichloropyrrolo[3,2-d]pyrimidine

C13H9Cl2N3278.13 g/molCAS 129872-83-9

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IDENTITY

结构与身份

标准SMILES: Clc1nc(Cl)c2c(ccn2Cc2ccccc2)n1
InChIKey: NFNHWZVKVVHLFG-UHFFFAOYSA-N
分子式: C13H9Cl2N3
平均分子量: 278.13 g/mol
单同位素质量: 277.0173527

COMPUTED

结构计算性质

已同步

XLogP: 3.9
极性表面积: 30.7 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 2
重原子: 18
形式电荷: 0
复杂度: 283

ALIASES

名称与别名

共 14 条

5-benzyl-2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine129872-83-95-benzyl-2,4-dichloropyrrolo[3,2-d]pyrimidineTCMDC-137801CHEMBL533291SCHEMBL1716185DTXSID30563390NFNHWZVKVVHLFG-UHFFFAOYSA-NNSC807633AKOS016845084NSC-807633DA-27307EN300-6789196Z2044823719

REACTIONS

相关反应

12 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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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 (5/10) · 10.1039/C8SC04228D

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uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08227601B2

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uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08227601B2

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uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08227601B2

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uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08227601B2

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uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08354532B2

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