(8S)-2-[(6-methyl-2-pyridinyl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane

C21H28N4O2 — CID 124893229

About (8S)-2-[(6-methyl-2-pyridinyl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-[(6-methyl-2-pyridinyl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124893229) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (8S)-2-[(6-methyl-2-pyridinyl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: (8S)-2-[(6-methyl-2-pyridinyl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 124893229
• Molecular Formula: C21H28N4O2
• Molecular Weight: 368.48 g/mol
• Exact Mass: 368.22
• IUPAC Name: (8S)-2-[(6-methyl-2-pyridinyl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
• SMILES: Cc1cccc(CN2CC3(C[C@H](CCOc4nccc(C)n4)CCO3)C2)n1
• InChI: InChI=1S/C21H28N4O2/c1-16-4-3-5-19(23-16)13-25-14-21(15-25)12-18(8-11-27-21)7-10-26-20-22-9-6-17(2)24-20/h3-6,9,18H,7-8,10-15H2,1-2H3/t18-/m1/s1
• InChIKey: CCEAUZANUCFHMA-GOSISDBHSA-N
• XLogP: 2.94
• TPSA: 60.37 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.48
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (8S)-2-[(6-methyl-2-pyridinyl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?

The IUPAC name of (8S)-2-[(6-methyl-2-pyridinyl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane (CID 124893229) is (8S)-2-[(6-methyl-2-pyridinyl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane.

What is the SMILES notation for (8S)-2-[(6-methyl-2-pyridinyl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?

The canonical SMILES for (8S)-2-[(6-methyl-2-pyridinyl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane is Cc1cccc(CN2CC3(C[C@H](CCOc4nccc(C)n4)CCO3)C2)n1.

What is the InChIKey of (8S)-2-[(6-methyl-2-pyridinyl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?

The InChIKey is CCEAUZANUCFHMA-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16-4-3-5-19(23-16)13-25-14-21(15-25)12-18(8-11-27-21)7-10-26-20-22-9-6-17(2)24-20/h3-6,9,18H,7-8,10-15H2,1-2H3/t18-/m1/s1.

What are the key properties of (8S)-2-[(6-methyl-2-pyridinyl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?

(8S)-2-[(6-methyl-2-pyridinyl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 368.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-2-[(6-methyl-2-pyridinyl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124893229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).