8-[(1,5-dimethylpyrazol-3-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

C18H26N6O — CID 118743755

IUPAC8-[(1,5-dimethylpyrazol-3-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCc1cc(CN2CCC3(CC2)CC(Nc2ncccn2)CO3)nn1C
InChIInChI=1S/C18H26N6O/c1-14-10-15(22-23(14)2)12-24-8-4-18(5-9-24)11-16(13-25-18)21-17-19-6-3-7-20-17/h3,6-7,10,16H,4-5,8-9,11-13H2,1-2H3,(H,19,20,21)
InChIKeyTUEQPTUUGDLNEO-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.75
Rot. Bonds4

About 8-[(1,5-dimethylpyrazol-3-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

8-[(1,5-dimethylpyrazol-3-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118743755) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 8-[(1,5-dimethylpyrazol-3-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name8-[(1,5-dimethylpyrazol-3-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118743755
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name8-[(1,5-dimethylpyrazol-3-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCc1cc(CN2CCC3(CC2)CC(Nc2ncccn2)CO3)nn1C
InChIInChI=1S/C18H26N6O/c1-14-10-15(22-23(14)2)12-24-8-4-18(5-9-24)11-16(13-25-18)21-17-19-6-3-7-20-17/h3,6-7,10,16H,4-5,8-9,11-13H2,1-2H3,(H,19,20,21)
InChIKeyTUEQPTUUGDLNEO-UHFFFAOYSA-N
XLogP1.75
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[(1,5-dimethylpyrazol-3-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine 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 8-[(1,5-dimethylpyrazol-3-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of 8-[(1,5-dimethylpyrazol-3-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118743755) is 8-[(1,5-dimethylpyrazol-3-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 8-[(1,5-dimethylpyrazol-3-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 8-[(1,5-dimethylpyrazol-3-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is Cc1cc(CN2CCC3(CC2)CC(Nc2ncccn2)CO3)nn1C.
What is the InChIKey of 8-[(1,5-dimethylpyrazol-3-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is TUEQPTUUGDLNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14-10-15(22-23(14)2)12-24-8-4-18(5-9-24)11-16(13-25-18)21-17-19-6-3-7-20-17/h3,6-7,10,16H,4-5,8-9,11-13H2,1-2H3,(H,19,20,21).
What are the key properties of 8-[(1,5-dimethylpyrazol-3-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
8-[(1,5-dimethylpyrazol-3-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 342.45 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1,5-dimethylpyrazol-3-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118743755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).