N-methyl-4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;molecular hydrogen

C69H84F9N15O3S3 — CID 164963745

About N-methyl-4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;molecular hydrogen

N-methyl-4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;molecular hydrogen (PubChem CID 164963745) has the molecular formula C69H84F9N15O3S3 and a molecular weight of 1438.72 g/mol. Its IUPAC name is N-methyl-4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-methyl-4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;molecular hydrogen
• PubChem CID: 164963745
• Molecular Formula: C69H84F9N15O3S3
• Molecular Weight: 1438.72 g/mol
• Exact Mass: 1437.59
• IUPAC Name: N-methyl-4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;molecular hydrogen
• SMILES: CNC(=O)c1ccc(NC2CCC3(C2)CN(c2ncnc4sc(CC(F)(F)F)cc24)C3)cc1.CNC(=O)c1ccc(N[C@@H]2CCC3(C2)CN(c2ncnc4sc(CC(F)(F)F)cc24)C3)cc1.CNC(=O)c1ccc(N[C@H]2CCC3(C2)CN(c2ncnc4sc(CC(F)(F)F)cc24)C3)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/3C23H24F3N5OS.6H2/c3*1-27-20(32)14-2-4-15(5-3-14)30-16-6-7-22(9-16)11-31(12-22)19-18-8-17(10-23(24,25)26)33-21(18)29-13-28-19;;;;;;/h3*2-5,8,13,16,30H,6-7,9-12H2,1H3,(H,27,32);6*1H/t2*16-;;;;;;;/m10......./s1
• InChIKey: CEMPUEFJFYKGMK-KGAQCBCGSA-N
• XLogP: 15.36
• TPSA: 210.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1438.72
LogP ≤ 5	15.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;molecular hydrogen?

The IUPAC name of N-methyl-4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;molecular hydrogen (CID 164963745) is N-methyl-4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;molecular hydrogen.

What is the SMILES notation for N-methyl-4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;molecular hydrogen?

The canonical SMILES for N-methyl-4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;molecular hydrogen is CNC(=O)c1ccc(NC2CCC3(C2)CN(c2ncnc4sc(CC(F)(F)F)cc24)C3)cc1.CNC(=O)c1ccc(N[C@@H]2CCC3(C2)CN(c2ncnc4sc(CC(F)(F)F)cc24)C3)cc1.CNC(=O)c1ccc(N[C@H]2CCC3(C2)CN(c2ncnc4sc(CC(F)(F)F)cc24)C3)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N-methyl-4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;molecular hydrogen?

The InChIKey is CEMPUEFJFYKGMK-KGAQCBCGSA-N. The full InChI is InChI=1S/3C23H24F3N5OS.6H2/c3*1-27-20(32)14-2-4-15(5-3-14)30-16-6-7-22(9-16)11-31(12-22)19-18-8-17(10-23(24,25)26)33-21(18)29-13-28-19;;;;;;/h3*2-5,8,13,16,30H,6-7,9-12H2,1H3,(H,27,32);6*1H/t2*16-;;;;;;;/m10......./s1.

What are the key properties of N-methyl-4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;molecular hydrogen?

N-methyl-4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;molecular hydrogen has a molecular weight of 1438.72 g/mol, XLogP of 15.36, 15 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;N-methyl-4-[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]benzamide;molecular hydrogen is sourced from PubChem (CID 164963745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).