4-(7-bromo-3,4-dihydroisoquinolin-2(1H)-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

HCID 46701048

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCN(c2cc(N3CCc4ccc(Br)cc4C3)nc(N)n2)CC1
InChIKey: AQYDCMMLRPGDRO-UHFFFAOYSA-N
분자식: C18H23BrN6
평균 분자량: 403.3 g/mol

이름 및 식별자

우선 이름: 4-(7-bromo-3,4-dihydroisoquinolin-2(1H)-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
IUPAC: 4-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

이름 및 동의어

SCHEMBL2493429AQYDCMMLRPGDRO-UHFFFAOYSA-NDB-2051584-(7-Bromo-3,4-dihydro-2(1h)-isoquinolinyl)-6-(4-methyl-1-piperazinyl)-2-pyrimidinamine4-(7-bromo-3,4-dihydroisoquinolin-2 (1H)-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine4-(7-bromo-3,4-dihydroisoquinolin-2(1H)-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine1233524-18-9

데이터베이스 식별자

PubChem CID: 46701048

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 61.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 25
형식 전하: 0
복잡도: 443

관련 반응

45건

반응 기록 만들기

HRID 93920 반응식

HRID 93920반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 166195 반응식

HRID 166195반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 183449 반응식

HRID 183449반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 205921 반응식

HRID 205921반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 211071 반응식

HRID 211071반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 290928 반응식

HRID 290928반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 293323 반응식

HRID 293323생성물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 319473 반응식

HRID 319473반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

불러오는 중…