6-[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine

C17H20FN5OS — CID 131662125

About 6-[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine

6-[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine (PubChem CID 131662125) has the molecular formula C17H20FN5OS and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine
• PubChem CID: 131662125
• Molecular Formula: C17H20FN5OS
• Molecular Weight: 361.45 g/mol
• Exact Mass: 361.14
• IUPAC Name: 6-[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine
• SMILES: CN(C)c1cc(N2CC3(CC(Oc4ncccc4F)CS3)C2)ncn1
• InChI: InChI=1S/C17H20FN5OS/c1-22(2)14-6-15(21-11-20-14)23-9-17(10-23)7-12(8-25-17)24-16-13(18)4-3-5-19-16/h3-6,11-12H,7-10H2,1-2H3
• InChIKey: QTVIZQOHKWTSIM-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 54.38 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.45
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine?

The IUPAC name of 6-[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine (CID 131662125) is 6-[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine.

What is the SMILES notation for 6-[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine?

The canonical SMILES for 6-[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine is CN(C)c1cc(N2CC3(CC(Oc4ncccc4F)CS3)C2)ncn1.

What is the InChIKey of 6-[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine?

The InChIKey is QTVIZQOHKWTSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5OS/c1-22(2)14-6-15(21-11-20-14)23-9-17(10-23)7-12(8-25-17)24-16-13(18)4-3-5-19-16/h3-6,11-12H,7-10H2,1-2H3.

What are the key properties of 6-[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine?

6-[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine has a molecular weight of 361.45 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 131662125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).