CAS 745066-18-6 2-(Piperazin-1-YL)-5-(trifluoromethyl)pyrimidine (HCID 16314797)

기본 정보

CAS: 745066-18-6
표준 SMILES: FC(F)(F)c1cnc(N2CCNCC2)nc1
InChIKey: AJPNCKCRSAVLLC-UHFFFAOYSA-N
분자식: C9H11F3N4
평균 분자량: 232.21 g/mol
단동위원소 질량: 232.09358085

이름 및 식별자

우선 이름: 2-(Piperazin-1-YL)-5-(trifluoromethyl)pyrimidine
IUPAC: 2-piperazin-1-yl-5-(trifluoromethyl)pyrimidine
영어명: 2-piperazin-1-yl-5-(trifluoromethyl)pyrimidine
분자식: C9H11F3N4
분자량: 232.21

이름 및 동의어

745066-18-62-(PIPERAZIN-1-YL)-5-(TRIFLUOROMETHYL)PYRIMIDINE2-piperazin-1-yl-5-(trifluoromethyl)pyrimidineMFCD09284398Pyrimidine,2-(1-piperazinyl)-5-(trifluoromethyl)-2-(1-piperazinyl)-5-(trifluoromethyl)pyrimidine2-(Piperazin-1-yl)-5-trifluoromethylpyrimidineSCHEMBL39223442-(1-PIPERAZINYL)-5-(TRIFLUOROMETHYL)-PYRIMIDINEDTXSID70585859PYRIMIDINE, 2-(1-PIPERAZINYL)-5-(TRIFLUOROMETHYL)-AKOS015904514

이름 더 보기

2-(piperazin-1-yl)-5-(trifluoromethyl)pyrimidine hydrochloride

AB50570AS-92914SY2910962-Piperazin-1-yl-5-trifluoromethyl-pyrimidineF951504-(5-(trifluoromethyl)pyrimidin-2-yl)-piperazineEN300-23982147Z199417990

데이터베이스 식별자

CAS: 745066-18-6
PubChem CID: 16314797
DTXSID: DTXSID70585859

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 41.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 219

물리화학적 성질

InChI: InChI=1S/C9H11F3N4/c10-9(11,12)7-5-14-8(15-6-7)16-3-1-13-2-4-16/h5-6,13H,1-4H2
InChIKey: AJPNCKCRSAVLLC-UHFFFAOYSA-N
SMILES: C1(N2CCNCC2)=NC=C(C(F)(F)F)C=N1