4-アミノ-5-(メチルアミノ)-2-メチルピリミジン

4-Amino-2-methyl-5-pyrimidinemethanamine

HCID 66762

基本情報

CAS: 101080-48-2
標準SMILES: Cc1ncc(CN)c(N)n1
InChIKey: OZOHTVFCSKFMLL-UHFFFAOYSA-N
分子式: C6H10N4
平均分子量: 138.17 g/mol
単同位体質量: 138.09054632

概要

4-amino-5-aminomethyl-2-methylpyrimidine is an aminopyrimidine compound having its amino substituent at the 4-position together with methyl and aminomethyl substituents at the 2- and 5-positions respectively. It is a conjugate base of a 4-amino-5-ammoniomethyl-2-methylpyrimidine.

名称と識別子

優先名称: 4-Amino-2-methyl-5-pyrimidinemethanamine
IUPAC: 5-(aminomethyl)-2-methylpyrimidin-4-amine
現地名: 4-アミノ-5-(メチルアミノ)-2-メチルピリミジン
英語名: 4-Amino-5-Aminomethyl-2-Methylpyrimiine
分子式: C6H10N4
分子量: 138.17

名称と別名

95-02-34-AMINO-5-AMINOMETHYL-2-METHYLPYRIMIDINE2-Methyl-4-amino-5-aminomethylpyrimidine4-AMINO-2-METHYL-5-PYRIMIDINEMETHANAMINEEU1UNR0P28CHEBI:44549DTXSID40241713RefChem:97783DTXCID70164204202-384-75-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-AMINE4-Amino-2-methylpyrimidine-5-methylamine

名称をさらに表示

4-アミノ-5-(メチルアミノ)-2-メチルピリミジンN2,5-ジメチルピリミジン-4,5-ジアミンN5,2-Dimethylpyrimidine-4,5-diamineN5,2-Dimethyl-4,5-pyrimidinediamine4,5-Pyrimidinediamine,N5,2-dimethyl-4-Amino-5-(methylamino)-2-methylpyrimidinePyrimidine, 4-amino-2-methyl-5-methylamino-Pyrimidine, 4-amino-2-methyl-5-methylamino- (6CI)

5-Pyrimidinemethanamine, 4-amino-2-methyl-GREWE DIAMINEEINECS 202-384-7MFCD000788804-Amino-5-Aminomethyl-2-Methylpyrimiine4-Amino-5-(aminomethyl)-2-methylpyrimidineDB032045-(Aminomethyl)-2-methyl-4-pyrimidinamine

データベース識別子

CAS: 101080-48-2、95-02-3
PubChem CID: 66762
DTXSID: DTXSID40241713
ChEBI: CHEBI:44549
UNII: EU1UNR0P28
EC Number: 202-384-7
Nikkaji: J27.937D

物性

構造計算による物性

XLogP: -0.3
極性表面積: 77.8 Å²
水素結合供与体数: 2
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: 106

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

物理化学的性質

沸点: 287.3 · 287.3±25.0 °C(Predicted)
比重(密度): 1.213 · 1.213±0.06 g/cm3(Predicted)
貯蔵温度: 20 °C · −20°C
酸解離定数(Pka): 7.62 · 7.62±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.