(S)-8-chloro-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one

HCID 136238740

기본 정보

표준 SMILES
O=c1cc(Cl)nc2n1CC[C@@H](C(F)(F)F)N2
InChIKey
ISPPUVAQWCTKNO-BYPYZUCNSA-N
분자식
C8H7ClF3N3O
평균 분자량
253.61 g/mol
단동위원소 질량
253.022974

이름 및 식별자

우선 이름
(S)-8-chloro-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one
IUPAC
(8S)-2-chloro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

이름 및 동의어

1260585-11-2(S)-8-chloro-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one(8S)-2-Chloro-1,6,7,8-tetrahydro-8-(trifluoromethyl)-4H-pyrimido[1,2-a]pyrimidin-4-one(8S)-2-chloro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one(S)-8-Chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-oneSCHEMBL931337AKOS037650900(S)-2-chloro-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-oneCS-15466CS-0033490C13525(8S)-2-chloro-8-(trifluoromethyl)-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidin-4-one
이름 더 보기
(8S)-2-chloro-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one(8S)-2-chloro-8-trifluoromethyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one(S)-2-chloro-8-trifluoromethyl-6,7,8,9-tetrahydro-pyrimido[1,2-a]pyrimidin-4-one4H-Pyrimido[1,2-a]pyrimidin-4-one, 2-chloro-1,6,7,8-tetrahydro-8-(trifluoromethyl)-, (8S)-

데이터베이스 식별자

PubChem CID
136238740

물성

구조 계산 물성

XLogP
1.4
극성 표면적
44.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
0
무거운 원자 수
16

관련 반응

17건

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