(8S)-2-(5-fluoropyrimidin-2-yl)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane

C18H21FN4O2 — CID 124796440

About (8S)-2-(5-fluoropyrimidin-2-yl)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-(5-fluoropyrimidin-2-yl)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124796440) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is (8S)-2-(5-fluoropyrimidin-2-yl)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: (8S)-2-(5-fluoropyrimidin-2-yl)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 124796440
• Molecular Formula: C18H21FN4O2
• Molecular Weight: 344.39 g/mol
• Exact Mass: 344.16
• IUPAC Name: (8S)-2-(5-fluoropyrimidin-2-yl)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
• SMILES: Cc1cncc(CO[C@H]2CCOC3(C2)CN(c2ncc(F)cn2)C3)c1
• InChI: InChI=1S/C18H21FN4O2/c1-13-4-14(7-20-6-13)10-24-16-2-3-25-18(5-16)11-23(12-18)17-21-8-15(19)9-22-17/h4,6-9,16H,2-3,5,10-12H2,1H3/t16-/m0/s1
• InChIKey: FEFHGVMZUXOESF-INIZCTEOSA-N
• XLogP: 2.27
• TPSA: 60.37 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.39
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (8S)-2-(5-fluoropyrimidin-2-yl)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane?

The IUPAC name of (8S)-2-(5-fluoropyrimidin-2-yl)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane (CID 124796440) is (8S)-2-(5-fluoropyrimidin-2-yl)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane.

What is the SMILES notation for (8S)-2-(5-fluoropyrimidin-2-yl)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane?

The canonical SMILES for (8S)-2-(5-fluoropyrimidin-2-yl)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane is Cc1cncc(CO[C@H]2CCOC3(C2)CN(c2ncc(F)cn2)C3)c1.

What is the InChIKey of (8S)-2-(5-fluoropyrimidin-2-yl)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane?

The InChIKey is FEFHGVMZUXOESF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-13-4-14(7-20-6-13)10-24-16-2-3-25-18(5-16)11-23(12-18)17-21-8-15(19)9-22-17/h4,6-9,16H,2-3,5,10-12H2,1H3/t16-/m0/s1.

What are the key properties of (8S)-2-(5-fluoropyrimidin-2-yl)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane?

(8S)-2-(5-fluoropyrimidin-2-yl)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 344.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-2-(5-fluoropyrimidin-2-yl)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124796440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).