ethyl 2-[4-(2-hydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxylate
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기본 정보
- CAS
210417-17-7- 표준 SMILES
CCOC(=O)c1cnc(-n2[nH]c(C)c(CCO)c2=O)[nH]c1=O- InChIKey
RCXSBHWDDVYRDS-UHFFFAOYSA-N- 분자식
- C13H16N4O5
- 평균 분자량
- 308.29 g/mol
- 단동위원소 질량
- 308.11206962
이름 및 식별자
- 우선 이름
- ethyl 2-[4-(2-hydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxylate
- IUPAC
- ethyl 2-[4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-6-oxo-1H-pyrimidine-5-carboxylate
- 영어명
- ETHYL 2-[4-(2-HYDROXYETHYL)-3-METHYL-5-OXO-2,5-DIHYDRO-1H-PYRAZOL-1-YL]-6-OXO-1,6-DIHYDRO-5-PYRIMIDINECARBOXYLATE
- 분자식
- C13H16N4O5
- 분자량
- 308.29
이름 및 동의어
210417-17-7ethyl 2-[4-(2-hydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxylateethyl 2-[4-(2-hydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1h-pyrazol-1-yl]-6-oxo-1,6-dihydropyrimidine-5-carboxylateNSC664725MFCD04126028ethyl 2-[4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-6-oxo-1H-pyrimidine-5-carboxylateEthyl 2-(4-(2-hydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxylateCHEMBL3145319AKOS005099666NSC-664725NCI60_0223117W-0341
이름 더 보기
5-Pyrimidinecarboxylic acid, 2-[2,5-dihydro-4-(2-hydroxyethyl)-3-methyl-5-oxo-1H-pyrazol-1-yl]-1,6-dihydro-6-oxo-, ethyl ester
SR-01000307242SR-01000307242-1Ethyl 4-hydroxy-2-(5-hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-5-pyrimidinecarboxylateethyl 4-hydroxy-2-[5-hydroxy-4-(2-hydroxyethyl)-3-methyl-pyrazol-1-yl]pyrimidine-5-carboxylateethyl2-[4-(2-hydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1h-pyrazol-1-yl]-6-oxo-1,6-dihydropyrimidine-5-carboxylate
데이터베이스 식별자
- CAS
210417-17-7- PubChem CID
- 379753
- ChEMBL
CHEMBL3145319- Nikkaji
- J970.649F
물성
구조 계산 물성보충 중
- XLogP
- -0.4
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 620
물리화학적 성질
- 밀도
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.53 · 6.53±0.50(Predicted)
관련 반응
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