tert-butyl N-(4-formylcyclohexyl)carbamate;tert-butyl N-[4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexyl]carbamate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;2-methyl-4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexan-1-amine

C104H147F12N19O7S5 — CID 159728625

About tert-butyl N-(4-formylcyclohexyl)carbamate;tert-butyl N-[4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexyl]carbamate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;2-methyl-4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexan-1-amine

tert-butyl N-(4-formylcyclohexyl)carbamate;tert-butyl N-[4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexyl]carbamate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;2-methyl-4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexan-1-amine (PubChem CID 159728625) has the molecular formula C104H147F12N19O7S5 and a molecular weight of 2163.76 g/mol. Its IUPAC name is tert-butyl N-(4-formylcyclohexyl)carbamate;tert-butyl N-[4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexyl]carbamate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;2-methyl-4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexan-1-amine.

Molecular Properties

• Compound Name: tert-butyl N-(4-formylcyclohexyl)carbamate;tert-butyl N-[4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexyl]carbamate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;2-methyl-4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexan-1-amine
• PubChem CID: 159728625
• Molecular Formula: C104H147F12N19O7S5
• Molecular Weight: 2163.76 g/mol
• Exact Mass: 2162.01
• IUPAC Name: tert-butyl N-(4-formylcyclohexyl)carbamate;tert-butyl N-[4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexyl]carbamate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;2-methyl-4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexan-1-amine
• SMILES: CC(C)(C)OC(=O)NC1CCC(C=O)CC1.Cc1nc(N2CCC3(CCN(CC4CCC(CS(C)(=O)=O)CC4)C3)C2)c2cc(CC(F)(F)F)sc2n1.Cc1nc(N2CCC3(CCN(CC4CCC(N)CC4)C3)C2)c2cc(CC(F)(F)F)sc2n1.Cc1nc(N2CCC3(CCN(CC4CCC(NC(=O)OC(C)(C)C)CC4)C3)C2)c2cc(CC(F)(F)F)sc2n1.Cc1nc(N2CCC3(CCNC3)C2)c2cc(CC(F)(F)F)sc2n1
• InChI: InChI=1S/C28H40F3N5O2S.C25H35F3N4O2S2.C23H32F3N5S.C16H19F3N4S.C12H21NO3/c1-18-32-23(22-13-21(14-28(29,30)31)39-24(22)33-18)36-12-10-27(17-36)9-11-35(16-27)15-19-5-7-20(8-6-19)34-25(37)38-26(2,3)4;1-17-29-22(21-11-20(12-25(26,27)28)35-23(21)30-17)32-10-8-24(16-32)7-9-31(15-24)13-18-3-5-19(6-4-18)14-36(2,33)34;1-15-28-20(19-10-18(11-23(24,25)26)32-21(19)29-15)31-9-7-22(14-31)6-8-30(13-22)12-16-2-4-17(27)5-3-16;1-10-21-13(23-5-3-15(9-23)2-4-20-8-15)12-6-11(7-16(17,18)19)24-14(12)22-10;1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h13,19-20H,5-12,14-17H2,1-4H3,(H,34,37);11,18-19H,3-10,12-16H2,1-2H3;10,16-17H,2-9,11-14,27H2,1H3;6,20H,2-5,7-9H2,1H3;8-10H,4-7H2,1-3H3,(H,13,15)
• InChIKey: NAYLMCZEHPLZLU-UHFFFAOYSA-N
• XLogP: 21.04
• TPSA: 291.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2163.76
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-formylcyclohexyl)carbamate;tert-butyl N-[4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexyl]carbamate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;2-methyl-4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexan-1-amine?

The IUPAC name of tert-butyl N-(4-formylcyclohexyl)carbamate;tert-butyl N-[4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexyl]carbamate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;2-methyl-4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexan-1-amine (CID 159728625) is tert-butyl N-(4-formylcyclohexyl)carbamate;tert-butyl N-[4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexyl]carbamate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;2-methyl-4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexan-1-amine.

What is the SMILES notation for tert-butyl N-(4-formylcyclohexyl)carbamate;tert-butyl N-[4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexyl]carbamate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;2-methyl-4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexan-1-amine?

The canonical SMILES for tert-butyl N-(4-formylcyclohexyl)carbamate;tert-butyl N-[4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexyl]carbamate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;2-methyl-4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexan-1-amine is CC(C)(C)OC(=O)NC1CCC(C=O)CC1.Cc1nc(N2CCC3(CCN(CC4CCC(CS(C)(=O)=O)CC4)C3)C2)c2cc(CC(F)(F)F)sc2n1.Cc1nc(N2CCC3(CCN(CC4CCC(N)CC4)C3)C2)c2cc(CC(F)(F)F)sc2n1.Cc1nc(N2CCC3(CCN(CC4CCC(NC(=O)OC(C)(C)C)CC4)C3)C2)c2cc(CC(F)(F)F)sc2n1.Cc1nc(N2CCC3(CCNC3)C2)c2cc(CC(F)(F)F)sc2n1.

What is the InChIKey of tert-butyl N-(4-formylcyclohexyl)carbamate;tert-butyl N-[4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexyl]carbamate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;2-methyl-4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexan-1-amine?

The InChIKey is NAYLMCZEHPLZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40F3N5O2S.C25H35F3N4O2S2.C23H32F3N5S.C16H19F3N4S.C12H21NO3/c1-18-32-23(22-13-21(14-28(29,30)31)39-24(22)33-18)36-12-10-27(17-36)9-11-35(16-27)15-19-5-7-20(8-6-19)34-25(37)38-26(2,3)4;1-17-29-22(21-11-20(12-25(26,27)28)35-23(21)30-17)32-10-8-24(16-32)7-9-31(15-24)13-18-3-5-19(6-4-18)14-36(2,33)34;1-15-28-20(19-10-18(11-23(24,25)26)32-21(19)29-15)31-9-7-22(14-31)6-8-30(13-22)12-16-2-4-17(27)5-3-16;1-10-21-13(23-5-3-15(9-23)2-4-20-8-15)12-6-11(7-16(17,18)19)24-14(12)22-10;1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h13,19-20H,5-12,14-17H2,1-4H3,(H,34,37);11,18-19H,3-10,12-16H2,1-2H3;10,16-17H,2-9,11-14,27H2,1H3;6,20H,2-5,7-9H2,1H3;8-10H,4-7H2,1-3H3,(H,13,15).

What are the key properties of tert-butyl N-(4-formylcyclohexyl)carbamate;tert-butyl N-[4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexyl]carbamate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;2-methyl-4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexan-1-amine?

tert-butyl N-(4-formylcyclohexyl)carbamate;tert-butyl N-[4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexyl]carbamate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;2-methyl-4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexan-1-amine has a molecular weight of 2163.76 g/mol, XLogP of 21.04, 19 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(4-formylcyclohexyl)carbamate;tert-butyl N-[4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexyl]carbamate;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;2-methyl-4-[7-[[4-(methylsulfonylmethyl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 159728625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).