2-(2-azaspiro[3.4]octan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one

C14H21N3O — CID 139525628

IUPAC2-(2-azaspiro[3.4]octan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(N2CC3(CCCC3)C2)[nH]c1=O
InChIInChI=1S/C14H21N3O/c1-10(2)11-7-15-13(16-12(11)18)17-8-14(9-17)5-3-4-6-14/h7,10H,3-6,8-9H2,1-2H3,(H,15,16,18)
InChIKeyKKQQFMWKGWHTTI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.27
Rot. Bonds2

About 2-(2-azaspiro[3.4]octan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one

2-(2-azaspiro[3.4]octan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 139525628) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2-azaspiro[3.4]octan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-azaspiro[3.4]octan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID139525628
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(2-azaspiro[3.4]octan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(N2CC3(CCCC3)C2)[nH]c1=O
InChIInChI=1S/C14H21N3O/c1-10(2)11-7-15-13(16-12(11)18)17-8-14(9-17)5-3-4-6-14/h7,10H,3-6,8-9H2,1-2H3,(H,15,16,18)
InChIKeyKKQQFMWKGWHTTI-UHFFFAOYSA-N
XLogP2.27
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-azaspiro[3.4]octan-2-yl)-5-propan-2-yl-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 2-(2-azaspiro[3.4]octan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-azaspiro[3.4]octan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 139525628) is 2-(2-azaspiro[3.4]octan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-azaspiro[3.4]octan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-azaspiro[3.4]octan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cnc(N2CC3(CCCC3)C2)[nH]c1=O.
What is the InChIKey of 2-(2-azaspiro[3.4]octan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is KKQQFMWKGWHTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)11-7-15-13(16-12(11)18)17-8-14(9-17)5-3-4-6-14/h7,10H,3-6,8-9H2,1-2H3,(H,15,16,18).
What are the key properties of 2-(2-azaspiro[3.4]octan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
2-(2-azaspiro[3.4]octan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 247.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.4]octan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 139525628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).