4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one

C13H19N3O3 — CID 136973334

IUPAC4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCCC3(C2)OCCO3)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-2-10-14-11(8-12(17)15-10)16-5-3-4-13(9-16)18-6-7-19-13/h8H,2-7,9H2,1H3,(H,14,15,17)
InChIKeyNSRYIXXYMNXYIK-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.68
Rot. Bonds2

About 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one

4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136973334) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one
PubChem CID136973334
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCCC3(C2)OCCO3)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-2-10-14-11(8-12(17)15-10)16-5-3-4-13(9-16)18-6-7-19-13/h8H,2-7,9H2,1H3,(H,14,15,17)
InChIKeyNSRYIXXYMNXYIK-UHFFFAOYSA-N
XLogP0.68
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

4-(3-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136702380
4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136702385
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136713909
2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957706
4-(3-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136957712
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)-2-methyl-1H-pyrimidin-6-one
CID 136958045
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one
CID 136958047
4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136973313
4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136973314
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973328
2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 136973332

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one (CID 136973334) is 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N2CCCC3(C2)OCCO3)cc(=O)[nH]1.
What is the InChIKey of 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is NSRYIXXYMNXYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-10-14-11(8-12(17)15-10)16-5-3-4-13(9-16)18-6-7-19-13/h8H,2-7,9H2,1H3,(H,14,15,17).
What are the key properties of 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one?
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 265.31 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136973334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).