Methyl 4-(bromomethyl)-2-((1R,2S)-2-(tert-butoxycarbonylamino)cyclohexylamino)-6-(3-(trifluoromethyl)phenylamino)pyrimidine-5-carboxylate

HCID 67238407

기본 정보

표준 SMILES
COC(=O)c1c(CBr)nc(N[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)nc1Nc1cccc(C(F)(F)F)c1
InChIKey
ZTNWEHKUHIJSKU-SJORKVTESA-N
분자식
C25H31BrF3N5O4
평균 분자량
602.4 g/mol
단동위원소 질량
601.15115

이름 및 식별자

우선 이름
Methyl 4-(bromomethyl)-2-((1R,2S)-2-(tert-butoxycarbonylamino)cyclohexylamino)-6-(3-(trifluoromethyl)phenylamino)pyrimidine-5-carboxylate
IUPAC
methyl 4-(bromomethyl)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate

이름 및 동의어

Methyl 4-(bromomethyl)-2-((1R,2S)-2-(tert-butoxycarbonylamino)cyclohexylamino)-6-(3-(trifluoromethyl)phenylamino)pyrimidine-5-carboxylateSCHEMBL1988130methyl 4-(bromomethyl)-2-((1R,2S)-2-(tert-butoxycarbonyl-amino)cyclohexylamino)-6-(3-(trifluoromethyl)phenylamino)pyrimidine-5-carboxylateMethyl 4-(bromomethyl)-2-((1R,2S)-2-(tert-butoxycarbonylamino)cyclohexyl-amino)-6-(3-(trifluoromethyl)phenylamino)pyrimidine-5-carboxylate

데이터베이스 식별자

PubChem CID
67238407

물성

구조 계산 물성

XLogP
6.3
극성 표면적
114 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
11
회전 가능 결합 수
10
무거운 원자 수
38

관련 반응

4건

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