Methyl 6-methyl-4-(5-nitrofuran-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
기본 정보
- CAS
3690-88-8- 표준 SMILES
COC(=O)C1=C(C)NC(=O)NC1c1ccc([N+](=O)[O-])o1- InChIKey
VUSKUMDTTWLJHB-UHFFFAOYSA-N- 분자식
- C11H11N3O6
- 평균 분자량
- 281.22 g/mol
- 단동위원소 질량
- 281.06478508
이름 및 식별자
- 우선 이름
- Methyl 6-methyl-4-(5-nitrofuran-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- methyl 6-methyl-4-(5-nitrofuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- 영어명
- 2-Oxo-4-(5-nitro-2-furyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid methyl ester
- 분자식
- C11H11N3O6
- 분자량
- 281.22
이름 및 동의어
3690-88-8STK5213602-Oxo-4-(5-nitro-2-furyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid methyl estermethyl 6-methyl-4-(5-nitrofuran-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylatemethyl 6-methyl-4-(5-nitro-2-furyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateMLS000678892SCHEMBL2396371CHEMBL1536268DTXSID00387742HMS2574J04AKOS000355503AKOS025245059
이름 더 보기
Nitractin1,2,3,4-Tetrahydro-6-methyl-4-(5-nitro-2-furyl)-2-oxo-5-pyrimidinecarboxylic acid methyl ester5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-(5-nitro-2-furanyl)-2-oxo-, methyl ester
methyl 6-methyl-4-(5-nitrofuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylateSMR000269945SR-01000239615SR-01000239615-1
데이터베이스 식별자
- CAS
3690-88-8- PubChem CID
- 2906967
- DTXSID
DTXSID00387742- ChEMBL
CHEMBL1536268- Nikkaji
- J10.633J
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 483
물리화학적 성질
- 녹는점
- 246 °C · 246 °C (decomp)
- 끓는 점
- 415.3 · 415.3±45.0 °C(Predicted)
- 밀도
- 1.401 · 1.401±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.48 · 10.48±0.70(Predicted)
관련 반응
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