[5-methyl-4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol

C17H19F3N6O2 — CID 153330827

IUPAC[5-methyl-4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1ccnc(C2=CNC3C=NC(C(F)(F)F)=CN23)n1
InChIInChI=1S/C17H19F3N6O2/c1-10-9-28-11(8-27)6-25(10)14-2-3-21-16(24-14)12-4-23-15-5-22-13(7-26(12)15)17(18,19)20/h2-5,7,10-11,15,23,27H,6,8-9H2,1H3
InChIKeyPYOGKSGFGFTXQS-UHFFFAOYSA-N
MW396.37 g/mol
LogP1.08
Rot. Bonds3

About [5-methyl-4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol

[5-methyl-4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol (PubChem CID 153330827) has the molecular formula C17H19F3N6O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is [5-methyl-4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
PubChem CID153330827
Molecular FormulaC17H19F3N6O2
Molecular Weight396.37 g/mol
Exact Mass396.15
IUPAC Name[5-methyl-4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1ccnc(C2=CNC3C=NC(C(F)(F)F)=CN23)n1
InChIInChI=1S/C17H19F3N6O2/c1-10-9-28-11(8-27)6-25(10)14-2-3-21-16(24-14)12-4-23-15-5-22-13(7-26(12)15)17(18,19)20/h2-5,7,10-11,15,23,27H,6,8-9H2,1H3
InChIKeyPYOGKSGFGFTXQS-UHFFFAOYSA-N
XLogP1.08
TPSA86.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-methyl-4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol with MolForge

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Related Compounds

1-[4-[6-(Cyclopropylamino)pyrimidin-4-yl]morpholin-2-yl]ethanol
CID 128733275
[(3S)-4-methyl-3-[[(2-propan-2-ylpyrimidin-4-yl)amino]methyl]morpholin-3-yl]methanol
CID 164638927
2-Methyl-1-[4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol
CID 139357525
(E)-2-[3,6-dimethyl-4-[2-[6-(2,2,2-trifluoroethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine
CID 139358936
N-[(Z)-2-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine
CID 139359158
N-[[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 141212443
1-[(2S)-2-aminopropoxy]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
CID 146219473
1-(2-Aminopropoxy)-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
CID 146219474
2-[1-(4-Aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol
CID 156538102
1-(4-Aminopyrimidin-2-yl)-5,5-difluoro-4-methoxypiperidin-3-ol
CID 156538150
(3R,4R)-1-(4-aminopyrimidin-2-yl)-5,5-difluoro-4-methoxypiperidin-3-ol
CID 156549890
(3S,4S)-1-(4-aminopyrimidin-2-yl)-5,5-difluoro-4-methoxypiperidin-3-ol
CID 156549894

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
The IUPAC name of [5-methyl-4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol (CID 153330827) is [5-methyl-4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
The canonical SMILES for [5-methyl-4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol is CC1COC(CO)CN1c1ccnc(C2=CNC3C=NC(C(F)(F)F)=CN23)n1.
What is the InChIKey of [5-methyl-4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
The InChIKey is PYOGKSGFGFTXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O2/c1-10-9-28-11(8-27)6-25(10)14-2-3-21-16(24-14)12-4-23-15-5-22-13(7-26(12)15)17(18,19)20/h2-5,7,10-11,15,23,27H,6,8-9H2,1H3.
What are the key properties of [5-methyl-4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
[5-methyl-4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol has a molecular weight of 396.37 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 153330827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).