tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carboxylate;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid

C87H109F3N10O11S2 — CID 157378731

About tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carboxylate;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid

tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carboxylate;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 157378731) has the molecular formula C87H109F3N10O11S2 and a molecular weight of 1592.02 g/mol. Its IUPAC name is tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carboxylate;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carboxylate;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
• PubChem CID: 157378731
• Molecular Formula: C87H109F3N10O11S2
• Molecular Weight: 1592.02 g/mol
• Exact Mass: 1590.77
• IUPAC Name: tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carboxylate;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
• SMILES: Cc1cc(N)c(OC(C)C)cc1C1CCN(C(=O)OC(C)(C)C)CC1.Cc1cc(Nc2ncc3sc(C)c(-c4cccc5c4OCC5)c3n2)c(OC(C)C)cc1C1CCN(C(=O)OC(C)(C)C)CC1.Cc1cc(Nc2ncc3sc(C)c(-c4cccc5c4OCC5)c3n2)c(OC(C)C)cc1C1CCNCC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C35H42N4O4S.C30H34N4O2S.C20H32N2O3.C2HF3O2/c1-20(2)42-28-18-26(23-11-14-39(15-12-23)34(40)43-35(5,6)7)21(3)17-27(28)37-33-36-19-29-31(38-33)30(22(4)44-29)25-10-8-9-24-13-16-41-32(24)25;1-17(2)36-25-15-23(20-8-11-31-12-9-20)18(3)14-24(25)33-30-32-16-26-28(34-30)27(19(4)37-26)22-7-5-6-21-10-13-35-29(21)22;1-13(2)24-18-12-16(14(3)11-17(18)21)15-7-9-22(10-8-15)19(23)25-20(4,5)6;3-2(4,5)1(6)7/h8-10,17-20,23H,11-16H2,1-7H3,(H,36,37,38);5-7,14-17,20,31H,8-13H2,1-4H3,(H,32,33,34);11-13,15H,7-10,21H2,1-6H3;(H,6,7)
• InChIKey: BRDLDTISOLQCGG-UHFFFAOYSA-N
• XLogP: 20.58
• TPSA: 256.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1592.02
LogP ≤ 5	20.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carboxylate;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?

The IUPAC name of tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carboxylate;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid (CID 157378731) is tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carboxylate;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carboxylate;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?

The canonical SMILES for tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carboxylate;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid is Cc1cc(N)c(OC(C)C)cc1C1CCN(C(=O)OC(C)(C)C)CC1.Cc1cc(Nc2ncc3sc(C)c(-c4cccc5c4OCC5)c3n2)c(OC(C)C)cc1C1CCN(C(=O)OC(C)(C)C)CC1.Cc1cc(Nc2ncc3sc(C)c(-c4cccc5c4OCC5)c3n2)c(OC(C)C)cc1C1CCNCC1.O=C(O)C(F)(F)F.

What is the InChIKey of tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carboxylate;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?

The InChIKey is BRDLDTISOLQCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N4O4S.C30H34N4O2S.C20H32N2O3.C2HF3O2/c1-20(2)42-28-18-26(23-11-14-39(15-12-23)34(40)43-35(5,6)7)21(3)17-27(28)37-33-36-19-29-31(38-33)30(22(4)44-29)25-10-8-9-24-13-16-41-32(24)25;1-17(2)36-25-15-23(20-8-11-31-12-9-20)18(3)14-24(25)33-30-32-16-26-28(34-30)27(19(4)37-26)22-7-5-6-21-10-13-35-29(21)22;1-13(2)24-18-12-16(14(3)11-17(18)21)15-7-9-22(10-8-15)19(23)25-20(4,5)6;3-2(4,5)1(6)7/h8-10,17-20,23H,11-16H2,1-7H3,(H,36,37,38);5-7,14-17,20,31H,8-13H2,1-4H3,(H,32,33,34);11-13,15H,7-10,21H2,1-6H3;(H,6,7).

What are the key properties of tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carboxylate;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?

tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carboxylate;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 1592.02 g/mol, XLogP of 20.58, 15 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carboxylate;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157378731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).