N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methyl-2-piperidyl)-6-oxo-pyrimidine-4-carboxamide
기본 정보
- 표준 SMILES
CN1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C- InChIKey
HGPPRMHXEAZMCS-UHFFFAOYSA-N- 분자식
- C19H23FN4O3
- 평균 분자량
- 374.4 g/mol
이름 및 식별자
- 우선 이름
- N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methyl-2-piperidyl)-6-oxo-pyrimidine-4-carboxamide
- IUPAC
- N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxopyrimidine-4-carboxamide
이름 및 동의어
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methyl-2-piperidyl)-6-oxo-pyrimidine-4-carboxamideN-Me-pyrimidone deriv., 11CHEMBL216389JMC496646 Compound 16SCHEMBL1150041BDBM22611HGPPRMHXEAZMCS-UHFFFAOYSA-N(+/-)-4-Pyrimidinecarboxamide, N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-2-(1-methyl-2-piperidinyl)-6-oxo-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamideN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
데이터베이스 식별자
- PubChem CID
- 54677580
- ChEMBL
CHEMBL216389
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 85.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 655
관련 반응
4건
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