5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one

C16H25N3O2 — CID 139525788

IUPAC5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
SMILESCCC(C)c1cnc(N2CCC3(CCOC3)CC2)[nH]c1=O
InChIInChI=1S/C16H25N3O2/c1-3-12(2)13-10-17-15(18-14(13)20)19-7-4-16(5-8-19)6-9-21-11-16/h10,12H,3-9,11H2,1-2H3,(H,17,18,20)
InChIKeyFBYZPIORCMWJAA-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.29
Rot. Bonds3

About 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one

5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one (PubChem CID 139525788) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
PubChem CID139525788
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
SMILESCCC(C)c1cnc(N2CCC3(CCOC3)CC2)[nH]c1=O
InChIInChI=1S/C16H25N3O2/c1-3-12(2)13-10-17-15(18-14(13)20)19-7-4-16(5-8-19)6-9-21-11-16/h10,12H,3-9,11H2,1-2H3,(H,17,18,20)
InChIKeyFBYZPIORCMWJAA-UHFFFAOYSA-N
XLogP2.29
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one (CID 139525788) is 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one is CCC(C)c1cnc(N2CCC3(CCOC3)CC2)[nH]c1=O.
What is the InChIKey of 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
The InChIKey is FBYZPIORCMWJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-12(2)13-10-17-15(18-14(13)20)19-7-4-16(5-8-19)6-9-21-11-16/h10,12H,3-9,11H2,1-2H3,(H,17,18,20).
What are the key properties of 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one has a molecular weight of 291.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 139525788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).