4-Methoxy-6-methylpyrimidin-2-amine (HCID 587236)

名称と識別子

優先名称: 4-Methoxy-6-methylpyrimidin-2-amine
IUPAC: 4-methoxy-6-methylpyrimidin-2-amine
現地名: 2-アミノ-4-メトキシ-6-メチルピリミジン
英語名: 2-Amino-4-methoxy-6-methylpyrimidine
分子式: C6H9N3O
分子量: 139.16

名称と別名

4-methoxy-6-methylpyrimidin-2-amineRefChem:524635620-757-62-Amino-4-methoxy-6-methylpyrimidine7749-47-52-Amino-4-methyl-6-methoxypyrimidineMFCD000597682-Pyrimidinamine, 4-methoxy-6-methyl-4-methoxy-6-methylpyrimidine-2-ylamine4-Methoxy-6-methyl-2-pyrimidinamine4-methoxy-6-methylpyrimidine-2-aminePyrimidine, 2-amino-4-methoxy-6-methyl-

名称をさらに表示

2-アミノ-4-メトキシ-6-メチルピリミジン4-メトキシ-6-メチルピリミジン-2-アミン2-アミノ-4-メチル-6-メトキシピリミジン4-メトキシ-6-メチル-2-ピリミジンアミン4-メチル-6-メトキシピリミジン-2-アミン2-ミノ-4-メトキシ-6-メチルピリミジンTIMTEC-BB SBB0067444-Methyl-6-methoxypyrimidine-2-amine2-Amino-4-methoxy-6-methylpyrimidine >2-AMINO-4-METHOXY-6-METHYLPYRIMIDINE, 98 %

Oprea1_769683SCHEMBL754480orb3029284SCHEMBL1880465DTXSID90343074PDK03612amino-4-methyl-6-methoxypyrimidineSBB006744

データベース識別子

CAS: 7749-47-5
PubChem CID: 587236
DTXSID: DTXSID90343074
EC Number: 620-757-6
Nikkaji: J58.049J

物性

構造計算による物性

XLogP: 0.6
極性表面積: 61 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 109

物理化学的性質

融点: 156 · 156-158 °C (lit.)
沸点: 255.11 °C · 255.11°C (rough estimate)
比重(密度): 1.2081 · 1.2081 (rough estimate)
屈折率: 1.65 · 1.6500 (estimate)
貯蔵温度: 2 · 2-8°C, protect from light
溶解性: 1 %、透明からわずかにかすんだ、無色から黄色 · メタノール: 可溶1%、透明からわずかにかすんだ、無色から黄色
外見: powder to crystal
酸解離定数(Pka): 6.38 · 6.38±0.10(Predicted)
色: White to Almost white
BRN: 121733 · 121733
InChI: 1S/C6H9N3O/c1-4-3-5(10-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
InChIKey: SNWZXTZIZWBIDQ-UHFFFAOYSA-N
SMILES: COc1cc(C)nc(N)n1
CAS データベース: 7749 · 7749-47-5(CAS DataBase Reference)

化学的性質

化学的特性white to pinkish or light beige

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): 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 5 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

安全データ

F: 8
wgk: 3
hs_code: 29335990
risk_code: 36/37/38-21/22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用2-Amino-4-methoxy-6-methylpyrimidine may be employed as nucleophile to investigate the regioselective introduction of some nucleophiles at the secondary position of Baylis-Hillman adducts. It may be used in the preparation of 2-amino-4-methoxy-6-methylpyrimidin-1-ium picrate.

一般的な説明2-Amino-4-methoxy-6-methylpyrimidine (AMMP) is a pyrimidine derivative. It acts as electron donor and forms charge transfer complexes with iodine (σ-electron acceptor). The FTIR and FT-Raman spectra of 2-amino-4-methoxy-6-methylpyrimidine have been recorded to evaluate the energy, structural and thermodynamical parameters. Molecules of AMMP exhibit space group of Pnma and are joined by two N-H…N hydrogen bonds.

調製方法 · 1 件

純化方法Recrystallise it from H2O. The picrate has m 220-221o(dec). [Baker et al. J Am pKEst ~ Chem Soc 69 3072, 3075 1947, Sirakawa et al. Yakugaku Zasshi 73 598 1953, Backer & Grevenstuk Recl Trav Chim, Pays-Bas 61 291 1942, Beilstein 25 III/IV 3385.]