기본 정보
- CAS
149950-61-8- 표준 SMILES
CCOCn1c(Cc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O- InChIKey
NVGVZWUORYLPAL-UHFFFAOYSA-N- 분자식
- C19H26N2O3
- 평균 분자량
- 330.4 g/mol
- 단동위원소 질량
- 330.1943427
개요
6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil is a pyrimidone that is uracil which is substituted at positions 1, 5, and 6 by ethoxymethyl, isopropyl, and 3,5-dimethylbenzyl groups, respectively. It is functionally related to a uracil.
이름 및 식별자
- 우선 이름
- 6-(3,5-Dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil
- IUPAC
- 6-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
- 영어명
- 2,4(1H,3H)-Pyrimidinedione, 6-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-5-(1-methylethyl)-
- 분자식
- C19H26N2O3
- 분자량
- 330.42
이름 및 동의어
6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracilCHEBI:427026-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dioneRefChem:539253GCA186gca-186I-EBU-dM149950-61-8CHEMBL3191396-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-(1-methylethyl)uracil
이름 더 보기
IEBUdMGCA 186I EBU dM2,4(1H,3H)-Pyrimidinedione, 6-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-5-(1-methylethyl)-
6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dioneorb1703427SCHEMBL23752310DTXSID301119722GLXC-05412BDBM50032238AKOS040745810DB07820
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 58.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 503
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LogP3.46
물리화학적 성질
- 밀도
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.37 · 9.37±0.40(Predicted)
화학 및 산업
공급사3 곳
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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