4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one

C11H15N3O3 — CID 136958019

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC3(CC2)OCCO3)nc[nH]1
InChIInChI=1S/C11H15N3O3/c15-10-7-9(12-8-13-10)14-3-1-11(2-4-14)16-5-6-17-11/h7-8H,1-6H2,(H,12,13,15)
InChIKeyNOBBWJVTUGIEDV-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.11
Rot. Bonds1

About 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one (PubChem CID 136958019) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
PubChem CID136958019
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC3(CC2)OCCO3)nc[nH]1
InChIInChI=1S/C11H15N3O3/c15-10-7-9(12-8-13-10)14-3-1-11(2-4-14)16-5-6-17-11/h7-8H,1-6H2,(H,12,13,15)
InChIKeyNOBBWJVTUGIEDV-UHFFFAOYSA-N
XLogP0.11
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methyl-1H-pyrimidin-6-one
CID 135771797
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-iodo-1H-pyrimidin-6-one
CID 136954301
4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957477
4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957566
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-1H-pyrimidin-6-one
CID 136958018
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one
CID 136958047
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958056
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973328
5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 136973330
5-amino-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 136973331
4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136978741
5-bromo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 137015689

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one (CID 136958019) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one is O=c1cc(N2CCC3(CC2)OCCO3)nc[nH]1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
The InChIKey is NOBBWJVTUGIEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-10-7-9(12-8-13-10)14-3-1-11(2-4-14)16-5-6-17-11/h7-8H,1-6H2,(H,12,13,15).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one has a molecular weight of 237.26 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136958019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).