4-아미노-5-아미노메틸-2-메틸피리민

4-Amino-2-methyl-5-pyrimidinemethanamine

HCID 66762CAS 101080-48-2

기본 정보

표준 SMILES: Cc1ncc(CN)c(N)n1
InChIKey: OZOHTVFCSKFMLL-UHFFFAOYSA-N
분자식: C6H10N4
평균 분자량: 138.17 g/mol
단동위원소 질량: 138.09054632

개요

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.

이름 및 식별자

우선 이름: 4-Amino-2-methyl-5-pyrimidinemethanamine
IUPAC: 5-(aminomethyl)-2-methylpyrimidin-4-amine
현지명: 4-아미노-5-아미노메틸-2-메틸피리민
영어명: 4-Amino-5-Aminomethyl-2-Methylpyrimiine
분자식: C6H10N4
분자량: 138.17

이름 및 동의어

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

이름 더 보기

4-아미노-5-아미노메틸-2-메틸피리민N5,2-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 77.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 106

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

끓는 점: 287.3 · 287.3±25.0 °C(Predicted)
밀도: 1.213 · 1.213±0.06 g/cm3(Predicted)
저장 조건: 20 °C · −20°C
산도 계수 (pKa): 7.62 · 7.62±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.