[2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxyalumane

C13H20AlFN4O — CID 154526738

IUPAC[2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxyalumane
SMILESFc1cnc(N2CCN3CC(CO[AlH2])CCC3C2)nc1
InChIInChI=1S/C13H18FN4O.Al.2H/c14-11-5-15-13(16-6-11)18-4-3-17-7-10(9-19)1-2-12(17)8-18;;;/h5-6,10,12H,1-4,7-9H2;;;/q-1;+1;;
InChIKeyQWNYBKMMKODITH-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.08
Rot. Bonds3

About [2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxyalumane

[2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxyalumane (PubChem CID 154526738) has the molecular formula C13H20AlFN4O and a molecular weight of 294.31 g/mol. Its IUPAC name is [2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxyalumane.

Molecular Properties

Compound Name[2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxyalumane
PubChem CID154526738
Molecular FormulaC13H20AlFN4O
Molecular Weight294.31 g/mol
Exact Mass294.14
IUPAC Name[2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxyalumane
SMILESFc1cnc(N2CCN3CC(CO[AlH2])CCC3C2)nc1
InChIInChI=1S/C13H18FN4O.Al.2H/c14-11-5-15-13(16-6-11)18-4-3-17-7-10(9-19)1-2-12(17)8-18;;;/h5-6,10,12H,1-4,7-9H2;;;/q-1;+1;;
InChIKeyQWNYBKMMKODITH-UHFFFAOYSA-N
XLogP0.08
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxyalumane with MolForge

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Related Compounds

2-(5-Fluoropyrimidin-2-yl)-7-(methoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 20654291
[2-(5-Fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol
CID 21997242
(7S,9aS)-7-hydroxymethyl-2-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
CID 54484575
[(7R,9aS)-2-(5-fluoro-2-pyrimidinyl)octahydro-2H-pyrido[1,2-a]pyrazin-7-yl]methanol
CID 54484576
[(7S)-2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol
CID 58863369
[(7R)-2-(5-fluoro-4-methylpyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol
CID 59047025
[(7R)-2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol
CID 59047031
(7R)-2-(5-fluoropyrimidin-2-yl)-7-(methoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 59912614
(7R,9aS)-2-(5-fluoropyrimidin-2-yl)-7-(methoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 71194976
[2-(5-Fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl hypoiodite
CID 141842049
(4aS,8R,8aS)-N,N-diethyl-6-(5-fluoropyrimidin-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
CID 97364490
(4aS,8R,8aS)-6-(5-fluoropyrimidin-2-yl)-N-methyl-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
CID 97364493

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxyalumane?
The IUPAC name of [2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxyalumane (CID 154526738) is [2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxyalumane.
What is the SMILES notation for [2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxyalumane?
The canonical SMILES for [2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxyalumane is Fc1cnc(N2CCN3CC(CO[AlH2])CCC3C2)nc1.
What is the InChIKey of [2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxyalumane?
The InChIKey is QWNYBKMMKODITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN4O.Al.2H/c14-11-5-15-13(16-6-11)18-4-3-17-7-10(9-19)1-2-12(17)8-18;;;/h5-6,10,12H,1-4,7-9H2;;;/q-1;+1;;.
What are the key properties of [2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxyalumane?
[2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxyalumane has a molecular weight of 294.31 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxyalumane is sourced from PubChem (CID 154526738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).