反应SMILES:Nc1ccnc(N)n1
HCID67431

2,4-Diaminopyrimidine

pyrimidine-2,4-diamine

C4H6N4110.12 g/molCAS 156-81-0

IDENTITY

结构与身份

标准SMILES
Nc1ccnc(N)n1
InChIKey
YAAWASYJIRZXSZ-UHFFFAOYSA-N
分子式
C4H6N4
平均分子量
110.12 g/mol
单同位素质量
110.05924621

COMPUTED

结构计算性质

已同步
XLogP
-0.5
极性表面积
77.8 Ų
氢键供体
2
氢键受体
4
可旋转键
0
重原子
8
形式电荷
0
复杂度
74

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H315 (95.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (95.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (93.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (95.6%);Eye Irrit. 2 (95.6%);STOT SE 3 (93.3%)

ALIASES

名称与别名

共 63 条
2,4-Diaminopyrimidine156-81-02,4-PyrimidinediaminePyrimidine, 2,4-diamino-L5ZY0JJP5JDTXSID70166021NSC-30856RefChem:443187DTXCID3088512205-862-3PYRIMIDINE-2,4-DIAMINEDiaminopyrimidineMFCD00038023Pyrimidine-2,4-diyldiamine2,4-diamino-pyrimidine2,6-DiaminopyrimidineLG3cytosine imine8-azacytosineEINECS 205-862-3

REACTIONS

参与反应

21
HRID4445

uspto-grants-1988_02

作为反应物
HRID 4445 方程式

uspto-grants-1988_02 · 10.6084/m9.figshare.5104873.v1 · US04725687

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HRID204416

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 204416 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID289367

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 289367 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID331113

uspto-grants-2014_11

作为反应物
HRID 331113 方程式

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08877769B2

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HRID505836

uspto-grants-2010_08

作为反应物
HRID 505836 方程式

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07781581B2

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HRID505840

uspto-grants-2010_08

作为反应物
HRID 505840 方程式

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07781581B2

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HRID556232

uspto-grants-2011_11

作为反应物
HRID 556232 方程式

uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08057868B2

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HRID578364

uspto-grants-2015_05

作为反应物
HRID 578364 方程式

uspto-grants-2015_05 · 10.6084/m9.figshare.5104873.v1 · US09040550B2

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