4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine

C24H34F3N5O2S2 — CID 159415278

About 4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine

4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 159415278) has the molecular formula C24H34F3N5O2S2 and a molecular weight of 545.70 g/mol. Its IUPAC name is 4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine
• PubChem CID: 159415278
• Molecular Formula: C24H34F3N5O2S2
• Molecular Weight: 545.70 g/mol
• Exact Mass: 545.21
• IUPAC Name: 4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine
• SMILES: CS(=O)(=O)CC1CCC(CN2CCC3(CCN(c4nc(N)nc5sc(CC(F)(F)F)cc45)C3)C2)CC1
• InChI: InChI=1S/C24H34F3N5O2S2/c1-36(33,34)13-17-4-2-16(3-5-17)12-31-8-6-23(14-31)7-9-32(15-23)20-19-10-18(11-24(25,26)27)35-21(19)30-22(28)29-20/h10,16-17H,2-9,11-15H2,1H3,(H2,28,29,30)
• InChIKey: LPBWHMNNQRLKIM-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 92.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.70
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine?

The IUPAC name of 4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine (CID 159415278) is 4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for 4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine?

The canonical SMILES for 4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine is CS(=O)(=O)CC1CCC(CN2CCC3(CCN(c4nc(N)nc5sc(CC(F)(F)F)cc45)C3)C2)CC1.

What is the InChIKey of 4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine?

The InChIKey is LPBWHMNNQRLKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N5O2S2/c1-36(33,34)13-17-4-2-16(3-5-17)12-31-8-6-23(14-31)7-9-32(15-23)20-19-10-18(11-24(25,26)27)35-21(19)30-22(28)29-20/h10,16-17H,2-9,11-15H2,1H3,(H2,28,29,30).

What are the key properties of 4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine?

4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 545.70 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 159415278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).