2-[[(7R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide

C16H25N5O2S — CID 124816568

About 2-[[(7R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide

2-[[(7R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide (PubChem CID 124816568) has the molecular formula C16H25N5O2S and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-[[(7R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[[(7R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide
• PubChem CID: 124816568
• Molecular Formula: C16H25N5O2S
• Molecular Weight: 351.48 g/mol
• Exact Mass: 351.17
• IUPAC Name: 2-[[(7R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide
• SMILES: CN(C)C(=O)CO[C@H]1CSC2(C1)CN(c1cc(N(C)C)ncn1)C2
• InChI: InChI=1S/C16H25N5O2S/c1-19(2)13-5-14(18-11-17-13)21-9-16(10-21)6-12(8-24-16)23-7-15(22)20(3)4/h5,11-12H,6-10H2,1-4H3/t12-/m1/s1
• InChIKey: LUADUNDFGHMIPT-GFCCVEGCSA-N
• XLogP: 0.71
• TPSA: 61.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.48
LogP ≤ 5	0.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[(7R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide?

The IUPAC name of 2-[[(7R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide (CID 124816568) is 2-[[(7R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[[(7R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide?

The canonical SMILES for 2-[[(7R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide is CN(C)C(=O)CO[C@H]1CSC2(C1)CN(c1cc(N(C)C)ncn1)C2.

What is the InChIKey of 2-[[(7R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide?

The InChIKey is LUADUNDFGHMIPT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N5O2S/c1-19(2)13-5-14(18-11-17-13)21-9-16(10-21)6-12(8-24-16)23-7-15(22)20(3)4/h5,11-12H,6-10H2,1-4H3/t12-/m1/s1.

What are the key properties of 2-[[(7R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide?

2-[[(7R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 351.48 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(7R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 124816568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).