기본 정보
- 표준 SMILES
Cc1ccc(Cc2cnc(N[N+](=O)[O-])[nH]c2=O)cn1- InChIKey
KWBSLRQDOHBJPQ-UHFFFAOYSA-N- 분자식
- C11H11N5O3
- 평균 분자량
- 261.24 g/mol
- 단동위원소 질량
- 261.08618923
이름 및 식별자
- 우선 이름
- 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one
- IUPAC
- N-[5-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyrimidin-2-yl]nitramide
- 영어명
- 5-[(6-methyl-3-pyridyl)methyl]-2-(nitroamino)-1H-pyrimidin-4-one
- 분자식
- C11H11N5O3
- 분자량
- 261.23674
이름 및 동의어
72716-93-9EINECS 276-781-95-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-oneSCHEMBL10620753SCHEMBL10655828DTXSID309935322-nitroamino-5-(6-methylpyrid-3-ylmethyl)-4(1H)-pyrimidoneNS000620552-nitroamino-5-(6-methyl-3-pyridyl)methyl-4-pyrimidone2-nitroamino-5-(6-methyl-3-pyridylmethyl)-4-pyrimidone2-nitroamino-5-(6-methylpyrid-3-ylmethyl)-4-pyrimidone2-nitroamino-5-(6-methylpyrid-3-ylmethyl)pyrimid-4-one
이름 더 보기
5-(6-Methylpyridin-3-ylmethyl)-2-(nitroamino)pyrimidin-4(1H)-one5-[(6-methyl-3-pyridyl)methyl]-2-(nitroamino)-1H-pyrimidin-4-one4(3H)-Pyrimidinone,5-[(6-methyl-3-pyridinyl)methyl]-2-(nitroamino)-
2-nitroamino-5-(6-methylpyrid-3ylmethyl)-4-pyrimidone2 -nitroamino-5-(6-methyl-3-pyridylmethyl)-4-pyrimidoneN-{4-Hydroxy-5-[(6-methylpyridin-3-yl)methyl]pyrimidin-2-yl}nitramide
데이터베이스 식별자
- CAS
72716-93-9- PubChem CID
- 3018360
- DTXSID
DTXSID30993532- EC Number
- 276-781-9
- Nikkaji
- J296.351E
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 440
화학 및 산업
공급사1 곳
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
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