[(3aS,4R,6R,6aR)-2,2-dimethyl-4-[[6-methyl-2-methylsulfinyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol | 1208988-03-7

分子结构分类

有机化合物 - 有机杂环化合物 - 吡啶及其衍生物

中文名称

——

中文别名

——

英文名称

[(3aS,4R,6R,6aR)-2,2-dimethyl-4-[[6-methyl-2-methylsulfinyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol

英文别名

——

[(3aS,4R,6R,6aR)-2,2-dimethyl-4-[[6-methyl-2-methylsulfinyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol化学式

CAS

1208988-03-7

化学式

C₂₁H₂₅N₅O₄S₂

mdl

——

分子量

475.593

InChiKey

QWGCEIQDOFINBZ-FRGSSPQOSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

1.5
重原子数：

32
可旋转键数：

5
环数：

5.0
sp3杂化的碳原子比例：

0.52
拓扑面积：

167
氢给体数：

2
氢受体数：

11

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	[(3aS,4R,6R,6aR)-2,2-dimethyl-4-[[6-methyl-2-methylsulfanyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol	1208988-02-6	C₂₁H₂₅N₅O₃S₂	459.593
——	[(3aS,4R,6R,6aR)-4-[(5-iodo-6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol	1208987-82-9	C₁₅H₂₂IN₃O₃S	451.328
——	(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[(5-iodo-6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]cyclopentane-1,2-diol	1208987-81-8	C₁₂H₁₈IN₃O₃S	411.264

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	2-(4-(((3aS,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)amino)-6-methyl-2-(methylsulfonyl)pyrimidin-5-yl)thiazolo[4,5-c]pyridine 5-oxide	1208988-11-7	C₂₁H₂₅N₅O₆S₂	507.591
——	[(3aS,4R,6R,6aR)-4-[[2-(cyclopropylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol	1208988-04-8	C₂₄H₃₀N₆O₃S	482.607
——	[(3aS,4R,6R,6aR)-2,2-dimethyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol	1396367-14-8	C₂₂H₂₅F₃N₆O₃S	510.54
——	[(3aS,4R,6R,6aR)-4-[[2-(2,2-dimethylpropylamino)-6-methyl-5-(5-oxido-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-yl)pyrimidin-4-yl]amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol	1208988-12-8	C₂₅H₃₄N₆O₄S	514.649
——	[(3aS,4R,6R,6aR)-4-[[2-[2-(3,5-dimethoxyphenyl)ethylamino]-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol	1208998-71-3	C₃₀H₃₆N₆O₅S	592.719
——	(1R,2S,3R,5R)-3-[[2-(2-ethoxyethylamino)-6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol	1208994-47-1	C₂₁H₂₈N₆O₄S	460.557
——	(1R,2S,3R,5R)-3-[[2-(dimethylamino)-6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol	1208994-55-1	C₁₉H₂₄N₆O₃S	416.504
——	(1R,2S,3R,5R)-3-[[2-(benzylamino)-6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol	1208994-62-0	C₂₄H₂₆N₆O₃S	478.575
——	(1R,2S,3R,5R)-3-[(2-amino-6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol	1208996-49-9	C₁₇H₂₀N₆O₃S	388.45
——	(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-(methylamino)-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]cyclopentane-1,2-diol	1208996-50-2	C₁₈H₂₂N₆O₃S	402.477
——	(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-[(1-methyl-4-piperidyl)methylamino]-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]cyclopentane-1,2-diol	1396367-25-1	C₂₄H₃₃N₇O₃S	499.637
——	(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]cyclopentane-1,2-diol	1332378-63-8	C₂₅H₂₅F₃N₆O₄S	562.573
——	(1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol	1208988-05-9	C₂₁H₂₆N₆O₃S	442.542
——	(1R,2S,3R,5R)-3-[[2-(cyclopropylamino)-6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol	1208994-56-2	C₂₀H₂₄N₆O₃S	428.515
——	(1R,2S,3R,5R)-3-[[2-[benzyl(methyl)amino]-6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol	1208996-37-5	C₂₅H₂₈N₆O₃S	492.602
——	(1R,2S,3R,5R)-3-[[2-[(2,6-difluorophenyl)methylamino]-6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol	1208998-31-5	C₂₄H₂₄F₂N₆O₃S	514.556
——	(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol	1208994-54-0	C₁₉H₂₁F₃N₆O₃S	470.475
——	(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-[[(1R)-1-(p-tolyl)ethyl]amino]-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]cyclopentane-1,2-diol	1208994-65-3	C₂₆H₃₀N₆O₃S	506.629
——	(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-[[(1R)-1-phenylethyl]amino]-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]cyclopentane-1,2-diol	1208994-64-2	C₂₅H₂₈N₆O₃S	492.602
——	(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-[[(1S)-1-phenylethyl]amino]-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]cyclopentane-1,2-diol	1208996-28-4	C₂₅H₂₈N₆O₃S	492.602
——	(1R,2S,3R,5R)-3-[(2-anilino-6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol	1208995-66-7	C₂₃H₂₄N₆O₃S	464.548
——	(1R,2S,3R,5R)-3-[[2-[2-(3,5-dimethoxyphenyl)ethylamino]-6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol	1208998-72-4	C₂₇H₃₂N₆O₅S	552.654
——	(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-2-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]pyrimidin-4-yl]amino]cyclopentane-1,2-diol	1332376-59-6	C₂₆H₂₇F₃N₆O₄S	576.599
——	(1R,2S,3R,5R)-3-[[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol	1208996-35-3	C₂₅H₂₇FN₆O₃S	510.592
——	(1R,2S,3R,5R)-3-[[2-[[(1R)-1-(3,5-dimethoxyphenyl)ethyl]amino]-6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol	1208996-30-8	C₂₇H₃₂N₆O₅S	552.654
——	(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-[(1-methyl-1-phenyl-ethyl)amino]-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]cyclopentane-1,2-diol