기본 정보
- 표준 SMILES
CCc1nc(C)cc(=O)n1CCOc1ccc(CNO)cc1- InChIKey
LRTKSXRVPKCFBC-UHFFFAOYSA-N- 분자식
- C16H21N3O3
- 평균 분자량
- 303.36 g/mol
이름 및 식별자
- 우선 이름
- 4-[2-[2-Ethyl-4-methyl-6-oxo-1,6-dihydro-1-pyrimidinyl]ethoxy]benzylhydroxylamine
- IUPAC
- 2-ethyl-3-[2-[4-[(hydroxyamino)methyl]phenoxy]ethyl]-6-methylpyrimidin-4-one
이름 및 동의어
SCHEMBL5935547LRTKSXRVPKCFBC-UHFFFAOYSA-N4-[2-[2-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]ethoxy]benzyl hydroxyl amine199114-41-5DB-3672204-[2-[2-ethyl-4-methyl-6-oxo-1,6-dihydro-1-pyrimidinyl]ethoxy]benzyl hydroxylamine4-[2-[2-Ethyl-4-methyl-6-oxo-1,6-dihydro-1-pyrimidinyl]ethoxy]benzylhydroxylamine4-[2-[2-ethyl-4-methyl-6-oxo-1,6dihydro-1-pyrimidinyl]ethoxy]benzyl hydroxylamine4-[2-[2-Ethyl-4-methyl-6-oxo-1,6dihydro-1-pyrimidinyl]ethoxy]benzylhydroxylamine4-[2-[2-Ethyl-4-methyl-6oxo-1,6-dihydro-1-pyrimidinyl]ethoxy]benzylhydroxylamine
데이터베이스 식별자
- PubChem CID
- 21960140
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 74.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 440
관련 반응
12건
화합물 노트
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