6-acetyl-9-pyridin-3-yl-2-pyrimidin-4-yl-2,6,9-triazaspiro[4.5]decan-8-one

C18H20N6O2 — CID 131649727

About 6-acetyl-9-pyridin-3-yl-2-pyrimidin-4-yl-2,6,9-triazaspiro[4.5]decan-8-one

6-acetyl-9-pyridin-3-yl-2-pyrimidin-4-yl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 131649727) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 6-acetyl-9-pyridin-3-yl-2-pyrimidin-4-yl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

• Compound Name: 6-acetyl-9-pyridin-3-yl-2-pyrimidin-4-yl-2,6,9-triazaspiro[4.5]decan-8-one
• PubChem CID: 131649727
• Molecular Formula: C18H20N6O2
• Molecular Weight: 352.40 g/mol
• Exact Mass: 352.16
• IUPAC Name: 6-acetyl-9-pyridin-3-yl-2-pyrimidin-4-yl-2,6,9-triazaspiro[4.5]decan-8-one
• SMILES: CC(=O)N1CC(=O)N(c2cccnc2)CC12CCN(c1ccncn1)C2
• InChI: InChI=1S/C18H20N6O2/c1-14(25)24-10-17(26)23(15-3-2-6-19-9-15)12-18(24)5-8-22(11-18)16-4-7-20-13-21-16/h2-4,6-7,9,13H,5,8,10-12H2,1H3
• InChIKey: JEQJHBKZKAOWSL-UHFFFAOYSA-N
• XLogP: 0.72
• TPSA: 82.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.40
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-9-pyridin-3-yl-2-pyrimidin-4-yl-2,6,9-triazaspiro[4.5]decan-8-one?

The IUPAC name of 6-acetyl-9-pyridin-3-yl-2-pyrimidin-4-yl-2,6,9-triazaspiro[4.5]decan-8-one (CID 131649727) is 6-acetyl-9-pyridin-3-yl-2-pyrimidin-4-yl-2,6,9-triazaspiro[4.5]decan-8-one.

What is the SMILES notation for 6-acetyl-9-pyridin-3-yl-2-pyrimidin-4-yl-2,6,9-triazaspiro[4.5]decan-8-one?

The canonical SMILES for 6-acetyl-9-pyridin-3-yl-2-pyrimidin-4-yl-2,6,9-triazaspiro[4.5]decan-8-one is CC(=O)N1CC(=O)N(c2cccnc2)CC12CCN(c1ccncn1)C2.

What is the InChIKey of 6-acetyl-9-pyridin-3-yl-2-pyrimidin-4-yl-2,6,9-triazaspiro[4.5]decan-8-one?

The InChIKey is JEQJHBKZKAOWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-14(25)24-10-17(26)23(15-3-2-6-19-9-15)12-18(24)5-8-22(11-18)16-4-7-20-13-21-16/h2-4,6-7,9,13H,5,8,10-12H2,1H3.

What are the key properties of 6-acetyl-9-pyridin-3-yl-2-pyrimidin-4-yl-2,6,9-triazaspiro[4.5]decan-8-one?

6-acetyl-9-pyridin-3-yl-2-pyrimidin-4-yl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 352.40 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-9-pyridin-3-yl-2-pyrimidin-4-yl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 131649727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).