2-tert-부틸-4-(피페라진-1-일)-6-트리플루오로메틸-피리미딘

2-(tert-Butyl)-4-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine

HCID 18399610

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 219599-99-2
표준 SMILES: CC(C)(C)c1nc(N2CCNCC2)cc(C(F)(F)F)n1
InChIKey: LNKWEXSUCTYYAC-UHFFFAOYSA-N
분자식: C13H19F3N4
평균 분자량: 288.31 g/mol
단동위원소 질량: 288.15618127

이름 및 식별자

우선 이름: 2-(tert-Butyl)-4-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine
IUPAC: 2-tert-butyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
현지명: 2-tert-부틸-4-(피페라진-1-일)-6-트리플루오로메틸-피리미딘
영어명: 2-tert-Butyl-4-(piperazin-1-yl)-6-trifluoromethyl-pyrimidine
분자식: C13H19F3N4
분자량: 288.31

이름 및 동의어

219599-99-22-(tert-Butyl)-4-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine2-tert-Butyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine1-[2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine1-(2-(tert-butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazine2-tert-Butyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine; 2-(1,1-Dimethylethyl)-4-(1-piperazinyl)-6-(trifluoromethyl)pyrimidineMFCD09910208SCHEMBL1045813DTXSID10593377AKOS015892453Pyrimidine, 2-(1,1-dimethylethyl)-4-(1-piperazinyl)-6-(trifluoromethyl)-DS-5099

이름 더 보기

2-tert-부틸-4-(피페라진-1-일)-6-트리플루오로메틸-피리미딘2-t-Butyl-4-(1-piperazinyl)-6-trifluoroMethylpyriMidine2-tert-Butyl-4-(piperazin-1-yl)-6-trifluoromethyl-pyrimidine2-(1,1-Dimethylethyl)-4-(1-piperazinyl)-6-(trifluoromethyl)pyrimidine

DB-014173CS-01548842-tert-butyl-4-piperazin-1-yl-6-trifluoromethyl-pyrimidine2-tert-Butyl-4-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine2-tert-butyl-4-piperazin-1-yl-6-(trifluoromethyl)-pyrimidine

데이터베이스 식별자

CAS: 219599-99-2
PubChem CID: 18399610
DTXSID: DTXSID10593377

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 41.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 20
형식 전하: 0
복잡도: 321

물리화학적 성질

저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 하얀색

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도1-[2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine is an intermediate in the synthesis of ABT 925 Fumerate (A112600) is a dopamine D3 receptor antagonist that is used in the treatment of acute schizophrenia.