4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one

C15H23N3O3 — CID 136973314

IUPAC4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)C2CCC3(CC2)OCCO3)cc(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-3-12-16-13(10-14(19)17-12)18(2)11-4-6-15(7-5-11)20-8-9-21-15/h10-11H,3-9H2,1-2H3,(H,16,17,19)
InChIKeyYZBRMXFFHRCEKF-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.45
Rot. Bonds3

About 4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one

4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136973314) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136973314
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)C2CCC3(CC2)OCCO3)cc(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-3-12-16-13(10-14(19)17-12)18(2)11-4-6-15(7-5-11)20-8-9-21-15/h10-11H,3-9H2,1-2H3,(H,16,17,19)
InChIKeyYZBRMXFFHRCEKF-UHFFFAOYSA-N
XLogP1.45
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 136973314) is 4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N(C)C2CCC3(CC2)OCCO3)cc(=O)[nH]1.
What is the InChIKey of 4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is YZBRMXFFHRCEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-12-16-13(10-14(19)17-12)18(2)11-4-6-15(7-5-11)20-8-9-21-15/h10-11H,3-9H2,1-2H3,(H,16,17,19).
What are the key properties of 4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 293.37 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136973314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).