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

C14H21N3O2 — CID 148719525

IUPAC5-ethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
SMILESCCc1cnc(N2CCC3(CCOC3)CC2)[nH]c1=O
InChIInChI=1S/C14H21N3O2/c1-2-11-9-15-13(16-12(11)18)17-6-3-14(4-7-17)5-8-19-10-14/h9H,2-8,10H2,1H3,(H,15,16,18)
InChIKeyNYUPNYZCSDSCQK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.34
Rot. Bonds2

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

5-ethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one (PubChem CID 148719525) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-ethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
PubChem CID148719525
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-ethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
SMILESCCc1cnc(N2CCC3(CCOC3)CC2)[nH]c1=O
InChIInChI=1S/C14H21N3O2/c1-2-11-9-15-13(16-12(11)18)17-6-3-14(4-7-17)5-8-19-10-14/h9H,2-8,10H2,1H3,(H,15,16,18)
InChIKeyNYUPNYZCSDSCQK-UHFFFAOYSA-N
XLogP1.34
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 139525765
5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 139525788
5-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 156218975
2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 173826280
6-Amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
CID 145210095

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one (CID 148719525) is 5-ethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one is CCc1cnc(N2CCC3(CCOC3)CC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
The InChIKey is NYUPNYZCSDSCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-11-9-15-13(16-12(11)18)17-6-3-14(4-7-17)5-8-19-10-14/h9H,2-8,10H2,1H3,(H,15,16,18).
What are the key properties of 5-ethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
5-ethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 148719525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).