기본 정보
- CAS
1389337-64-7- 표준 SMILES
Cl.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.O- InChIKey
CWULNKGRTQZGTJ-UHFFFAOYSA-N- 분자식
- C18H24ClF3N6O3
- 평균 분자량
- 464.9 g/mol
- 단동위원소 질량
- 464.15505097
이름 및 식별자
- 우선 이름
- 5-(2,6-Dimorpholinopyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine hydrochloride hydrate
- IUPAC
- 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrate;hydrochloride
이름 및 동의어
1389337-64-75-(2,6-Dimorpholinopyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine hydrochloride hydrate5-[2,6-bis(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine hydrate hydrochlorideSCHEMBL896994DTXSID607358615-(2,6-Dimorpholinopyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-aminehydrochloridehydrate2-Pyridinamine, 5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-(trifluoromethyl)-, hydrochloride, hydrate (1:1:1)5-(2,6-Di-4-morpholinyl-4-pyrimidinyl)-4-(trifluoromethyl)pyridin-2-amine monohydrate monohydrochloride5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrate;hydrochloride5-[2,6-Bis(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine--hydrogen chloride--water (1/1/1)
데이터베이스 식별자
- CAS
1389337-64-7- PubChem CID
- 66834029
- DTXSID
DTXSID60735861
물성
구조 계산 물성
- 극성 표면적
- 90.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 530
관련 반응
10건
화합물 노트
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