2-(2-azaspiro[3.4]octan-2-yl)-5-ethyl-1H-pyrimidin-6-one

C13H19N3O — CID 139525627

IUPAC2-(2-azaspiro[3.4]octan-2-yl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(N2CC3(CCCC3)C2)[nH]c1=O
InChIInChI=1S/C13H19N3O/c1-2-10-7-14-12(15-11(10)17)16-8-13(9-16)5-3-4-6-13/h7H,2-6,8-9H2,1H3,(H,14,15,17)
InChIKeyOQSPWFINRJTBBQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.71
Rot. Bonds2

About 2-(2-azaspiro[3.4]octan-2-yl)-5-ethyl-1H-pyrimidin-6-one

2-(2-azaspiro[3.4]octan-2-yl)-5-ethyl-1H-pyrimidin-6-one (PubChem CID 139525627) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2-azaspiro[3.4]octan-2-yl)-5-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-azaspiro[3.4]octan-2-yl)-5-ethyl-1H-pyrimidin-6-one
PubChem CID139525627
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(2-azaspiro[3.4]octan-2-yl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(N2CC3(CCCC3)C2)[nH]c1=O
InChIInChI=1S/C13H19N3O/c1-2-10-7-14-12(15-11(10)17)16-8-13(9-16)5-3-4-6-13/h7H,2-6,8-9H2,1H3,(H,14,15,17)
InChIKeyOQSPWFINRJTBBQ-UHFFFAOYSA-N
XLogP1.71
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[3.4]octan-2-yl)-5-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-azaspiro[3.4]octan-2-yl)-5-ethyl-1H-pyrimidin-6-one (CID 139525627) is 2-(2-azaspiro[3.4]octan-2-yl)-5-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-azaspiro[3.4]octan-2-yl)-5-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-azaspiro[3.4]octan-2-yl)-5-ethyl-1H-pyrimidin-6-one is CCc1cnc(N2CC3(CCCC3)C2)[nH]c1=O.
What is the InChIKey of 2-(2-azaspiro[3.4]octan-2-yl)-5-ethyl-1H-pyrimidin-6-one?
The InChIKey is OQSPWFINRJTBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-10-7-14-12(15-11(10)17)16-8-13(9-16)5-3-4-6-13/h7H,2-6,8-9H2,1H3,(H,14,15,17).
What are the key properties of 2-(2-azaspiro[3.4]octan-2-yl)-5-ethyl-1H-pyrimidin-6-one?
2-(2-azaspiro[3.4]octan-2-yl)-5-ethyl-1H-pyrimidin-6-one has a molecular weight of 233.31 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.4]octan-2-yl)-5-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 139525627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).