6-methyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one

C17H20N6O — CID 155876866

About 6-methyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one

6-methyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 155876866) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-methyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

• Compound Name: 6-methyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one
• PubChem CID: 155876866
• Molecular Formula: C17H20N6O
• Molecular Weight: 324.39 g/mol
• Exact Mass: 324.17
• IUPAC Name: 6-methyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one
• SMILES: CN1CC(=O)N(c2cccnc2)CC12CCN(c1ncccn1)C2
• InChI: InChI=1S/C17H20N6O/c1-21-11-15(24)23(14-4-2-6-18-10-14)13-17(21)5-9-22(12-17)16-19-7-3-8-20-16/h2-4,6-8,10H,5,9,11-13H2,1H3
• InChIKey: GFTVIUQEJXCEKP-UHFFFAOYSA-N
• XLogP: 0.80
• TPSA: 65.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.39
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one?

The IUPAC name of 6-methyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one (CID 155876866) is 6-methyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one.

What is the SMILES notation for 6-methyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one?

The canonical SMILES for 6-methyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2cccnc2)CC12CCN(c1ncccn1)C2.

What is the InChIKey of 6-methyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one?

The InChIKey is GFTVIUQEJXCEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-21-11-15(24)23(14-4-2-6-18-10-14)13-17(21)5-9-22(12-17)16-19-7-3-8-20-16/h2-4,6-8,10H,5,9,11-13H2,1H3.

What are the key properties of 6-methyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one?

6-methyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 324.39 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 155876866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).