1-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]butan-1-one

C16H24N4O2 — CID 134071241

IUPAC1-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]butan-1-one
SMILESCCCC(=O)N1CCC2(CC1)CC(Nc1ncccn1)CO2
InChIInChI=1S/C16H24N4O2/c1-2-4-14(21)20-9-5-16(6-10-20)11-13(12-22-16)19-15-17-7-3-8-18-15/h3,7-8,13H,2,4-6,9-12H2,1H3,(H,17,18,19)
InChIKeyLTQFOOWKGXIFHU-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.84
Rot. Bonds4

About 1-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]butan-1-one

1-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]butan-1-one (PubChem CID 134071241) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]butan-1-one
PubChem CID134071241
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]butan-1-one
SMILESCCCC(=O)N1CCC2(CC1)CC(Nc1ncccn1)CO2
InChIInChI=1S/C16H24N4O2/c1-2-4-14(21)20-9-5-16(6-10-20)11-13(12-22-16)19-15-17-7-3-8-18-15/h3,7-8,13H,2,4-6,9-12H2,1H3,(H,17,18,19)
InChIKeyLTQFOOWKGXIFHU-UHFFFAOYSA-N
XLogP1.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
CID 645990
(4S)-3-[2-[[(1S)-1-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479289
N-(3-methoxypropyl)-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 651470
(4S)-3-[2-[[(1S)-1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479006
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 648367
1-(1-Methoxypropan-2-yl)-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45831205
1-(Oxolan-2-ylmethyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 51081506
N-[rel-(3R,4S)-4-isopropyl-1-(4-morpholinylacetyl)-3-pyrrolidinyl]-2-methyl-4-pyrimidinamine dihydrochloride
CID 72849948
N-{[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide
CID 72937737
(3aS,4R,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97364994
(2S,3aS,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366665
(2R,3aS,7aR)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366895

Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]butan-1-one?
The IUPAC name of 1-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]butan-1-one (CID 134071241) is 1-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]butan-1-one.
What is the SMILES notation for 1-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]butan-1-one?
The canonical SMILES for 1-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]butan-1-one is CCCC(=O)N1CCC2(CC1)CC(Nc1ncccn1)CO2.
What is the InChIKey of 1-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]butan-1-one?
The InChIKey is LTQFOOWKGXIFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-4-14(21)20-9-5-16(6-10-20)11-13(12-22-16)19-15-17-7-3-8-18-15/h3,7-8,13H,2,4-6,9-12H2,1H3,(H,17,18,19).
What are the key properties of 1-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]butan-1-one?
1-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]butan-1-one has a molecular weight of 304.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]butan-1-one is sourced from PubChem (CID 134071241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).