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

C15H23N3O2 — CID 139525765

IUPAC2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(N2CCC3(CCOC3)CC2)[nH]c1=O
InChIInChI=1S/C15H23N3O2/c1-11(2)12-9-16-14(17-13(12)19)18-6-3-15(4-7-18)5-8-20-10-15/h9,11H,3-8,10H2,1-2H3,(H,16,17,19)
InChIKeyHZSWIKFZFAUFPM-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.90
Rot. Bonds2

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

2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 139525765) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID139525765
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(N2CCC3(CCOC3)CC2)[nH]c1=O
InChIInChI=1S/C15H23N3O2/c1-11(2)12-9-16-14(17-13(12)19)18-6-3-15(4-7-18)5-8-20-10-15/h9,11H,3-8,10H2,1-2H3,(H,16,17,19)
InChIKeyHZSWIKFZFAUFPM-UHFFFAOYSA-N
XLogP1.90
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 139525765) is 2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cnc(N2CCC3(CCOC3)CC2)[nH]c1=O.
What is the InChIKey of 2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is HZSWIKFZFAUFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)12-9-16-14(17-13(12)19)18-6-3-15(4-7-18)5-8-20-10-15/h9,11H,3-8,10H2,1-2H3,(H,16,17,19).
What are the key properties of 2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 277.37 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 139525765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).