HCID79501

5,6-Diamino-1,3-dimethyluracil

5,6-diamino-1,3-dimethylpyrimidine-2,4-dione

C6H10N4O2170.17 g/molCAS 5440-00-6

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IDENTITY

结构与身份

标准SMILES: Cn1c(N)c(N)c(=O)n(C)c1=O
InChIKey: BGQNOPFTJROKJE-UHFFFAOYSA-N
分子式: C6H10N4O2
平均分子量: 170.17 g/mol
单同位素质量: 170.08037557

COMPUTED

结构计算性质

已同步

XLogP: -0.5
极性表面积: 92.7 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 0
重原子: 12
形式电荷: 0
复杂度: 283

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

USES

用途与制造

来源：PubChem

General Manufacturing Information

2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-1,3-dimethyl-: ACTIVE

ALIASES

名称与别名

共 58 条

5440-00-65,6-Diamino-1,3-dimethyluracil2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-1,3-dimethyl-4,5-Diamino-1,3-dimethyluracilUracil, 5,6-diamino-1,3-dimethyl-PBG0JXV865NSC-154935,6-Diamino-1,3-dimethylureaDTXSID8063886RefChem:81966DTXCID1041712226-621-95,6-Diamino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione5,6-DIAMINO-1,3-DIMETHYL URACIL5,6-diamino-1,3-dimethylpyrimidine-2,4-dioneMFCD000065511,3-dimethyl-5,6-diaminouracil5,6-diamino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione5,6-Diamino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione4,5-Diamino-1,3-dimethylpyrimidine-2,6-dione

REACTIONS

参与反应

49 条

uspto-grants-1988_02 · 10.6084/m9.figshare.5104873.v1 · US04722929

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uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04225485

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

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-1996_01 · 10.6084/m9.figshare.5104873.v1 · US05484920

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uspto-grants-1996_01 · 10.6084/m9.figshare.5104873.v1 · US05484920

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uspto-grants-1996_01 · 10.6084/m9.figshare.5104873.v1 · US05484920

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