4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one

C13H19N3O2 — CID 137005106

IUPAC4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC3(CCCC3)C2)nc[nH]c1=O
InChIInChI=1S/C13H19N3O2/c1-18-10-11(14-9-15-12(10)17)16-7-6-13(8-16)4-2-3-5-13/h9H,2-8H2,1H3,(H,14,15,17)
InChIKeyUICAUPRULOSFHH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.55
Rot. Bonds2

About 4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one

4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 137005106) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID137005106
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC3(CCCC3)C2)nc[nH]c1=O
InChIInChI=1S/C13H19N3O2/c1-18-10-11(14-9-15-12(10)17)16-7-6-13(8-16)4-2-3-5-13/h9H,2-8H2,1H3,(H,14,15,17)
InChIKeyUICAUPRULOSFHH-UHFFFAOYSA-N
XLogP1.55
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-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

Related Compounds

4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-5-methoxy-1H-pyrimidin-6-one
CID 137016045
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136954394
4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979708
5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973276
4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979735
4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136706910
5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137009197
5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137008974
4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979674
5-methoxy-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-6-one
CID 137009772
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136973295

Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one (CID 137005106) is 4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCC3(CCCC3)C2)nc[nH]c1=O.
What is the InChIKey of 4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is UICAUPRULOSFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-10-11(14-9-15-12(10)17)16-7-6-13(8-16)4-2-3-5-13/h9H,2-8H2,1H3,(H,14,15,17).
What are the key properties of 4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one?
4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 137005106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).