4-(1-Ethoxyvinyl)-N-(3-methoxy-4-(6-methylpyridazin-4-yl)phenyl)-6-((2,2,2-trifluoroethoxy)methyl)pyrimidin-2-amine (HCID 117821048)

기본 정보

표준 SMILES: C=C(OCC)c1cc(COCC(F)(F)F)nc(Nc2ccc(-c3cnnc(C)c3)c(OC)c2)n1
InChIKey: RMKBBBKEXXKIDN-UHFFFAOYSA-N
분자식: C23H24F3N5O3
평균 분자량: 475.5 g/mol

이름 및 식별자

우선 이름: 4-(1-Ethoxyvinyl)-N-(3-methoxy-4-(6-methylpyridazin-4-yl)phenyl)-6-((2,2,2-trifluoroethoxy)methyl)pyrimidin-2-amine
IUPAC: 4-(1-ethoxyethenyl)-N-[3-methoxy-4-(6-methylpyridazin-4-yl)phenyl]-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-2-amine

이름 및 동의어

4-(1-Ethoxyvinyl)-N-(3-methoxy-4-(6-methylpyridazin-4-yl)phenyl)-6-((2,2,2-trifluoroethoxy)methyl)pyrimidin-2-amineSCHEMBL163980154-(1-Ethoxyvi nyl)-N-(3-methoxy-4-(6-methylpyridazin-4-yl)phenyl)-6-((2,2,2-trifluoroethoxy)-methyl)pyrimidin-2-amine4-(1-Ethoxyvinyl)-N-(3-methoxy-4-(6-methylpyridazin-4-yl)phenyl)-6-((2,2,2-trifluoroethoxy)-methyl)pyrimidin-2-amine

데이터베이스 식별자

PubChem CID: 117821048

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 91.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 11
회전 가능 결합 수: 10
무거운 원자 수: 34
형식 전하: 0
복잡도: 641

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