1-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-3-pyrimidin-5-ylpropan-1-one

C16H24N4O2 — CID 131684580

IUPAC1-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-3-pyrimidin-5-ylpropan-1-one
SMILESCN1CCCC2(C1)CN(C(=O)CCc1cncnc1)CCO2
InChIInChI=1S/C16H24N4O2/c1-19-6-2-5-16(11-19)12-20(7-8-22-16)15(21)4-3-14-9-17-13-18-10-14/h9-10,13H,2-8,11-12H2,1H3
InChIKeyZLRMEOLNOSWULG-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.73
Rot. Bonds3

About 1-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-3-pyrimidin-5-ylpropan-1-one

1-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-3-pyrimidin-5-ylpropan-1-one (PubChem CID 131684580) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-3-pyrimidin-5-ylpropan-1-one.

Molecular Properties

Compound Name1-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-3-pyrimidin-5-ylpropan-1-one
PubChem CID131684580
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-3-pyrimidin-5-ylpropan-1-one
SMILESCN1CCCC2(C1)CN(C(=O)CCc1cncnc1)CCO2
InChIInChI=1S/C16H24N4O2/c1-19-6-2-5-16(11-19)12-20(7-8-22-16)15(21)4-3-14-9-17-13-18-10-14/h9-10,13H,2-8,11-12H2,1H3
InChIKeyZLRMEOLNOSWULG-UHFFFAOYSA-N
XLogP0.73
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-3-pyrimidin-5-ylpropan-1-one with MolForge

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Related Compounds

US10906888, Example 104
CID 139580373
US11077113, Example 6
CID 162533416
2-(3-Hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70707165
2-(2-Methoxyethyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70769782
1-[(5aR,9aS)-8-(5-ethylpyrimidin-2-yl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-4-yl]ethanone
CID 97511587
2-Methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
CID 118739023
8-Methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118742778
1-[4-(5-Methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 118742796
N,N-dimethyl-2-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 118745728
[(1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone
CID 155549657
9-(5-Ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70722334
9-[(2-Ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70723909

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-3-pyrimidin-5-ylpropan-1-one?
The IUPAC name of 1-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-3-pyrimidin-5-ylpropan-1-one (CID 131684580) is 1-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-3-pyrimidin-5-ylpropan-1-one.
What is the SMILES notation for 1-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-3-pyrimidin-5-ylpropan-1-one?
The canonical SMILES for 1-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-3-pyrimidin-5-ylpropan-1-one is CN1CCCC2(C1)CN(C(=O)CCc1cncnc1)CCO2.
What is the InChIKey of 1-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-3-pyrimidin-5-ylpropan-1-one?
The InChIKey is ZLRMEOLNOSWULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19-6-2-5-16(11-19)12-20(7-8-22-16)15(21)4-3-14-9-17-13-18-10-14/h9-10,13H,2-8,11-12H2,1H3.
What are the key properties of 1-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-3-pyrimidin-5-ylpropan-1-one?
1-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-3-pyrimidin-5-ylpropan-1-one has a molecular weight of 304.39 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-3-pyrimidin-5-ylpropan-1-one is sourced from PubChem (CID 131684580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).