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

HCID 136238740

基本情報

標準SMILES
O=c1cc(Cl)nc2n1CC[C@@H](C(F)(F)F)N2
InChIKey
ISPPUVAQWCTKNO-BYPYZUCNSA-N
分子式
C8H7ClF3N3O
平均分子量
253.61 g/mol
単同位体質量
253.022974

名称と識別子

優先名称
(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

名称と別名

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
名称をさらに表示
(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)-

データベース識別子

PubChem CID
136238740

物性

構造計算による物性

XLogP
1.4
極性表面積
44.7 Ų
水素結合供与体数
1
水素結合受容体数
5
回転可能結合数
0
重原子数
16

関連反応

17 件

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