tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

C36H43ClF10N8O4S2 — CID 158345698

About tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (PubChem CID 158345698) has the molecular formula C36H43ClF10N8O4S2 and a molecular weight of 941.36 g/mol. Its IUPAC name is tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
• PubChem CID: 158345698
• Molecular Formula: C36H43ClF10N8O4S2
• Molecular Weight: 941.36 g/mol
• Exact Mass: 940.24
• IUPAC Name: tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
• SMILES: CC(C)(C)OC(=O)N1CCC(N)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)C(F)(F)C1.FC(F)(F)Cc1cc2c(Cl)ncnc2s1
• InChI: InChI=1S/C18H21F5N4O2S.C10H18F2N2O2.C8H4ClF3N2S/c1-16(2,3)29-15(28)27-5-4-12(17(19,20)8-27)26-13-11-6-10(7-18(21,22)23)30-14(11)25-9-24-13;1-9(2,3)16-8(15)14-5-4-7(13)10(11,12)6-14;9-6-5-1-4(2-8(10,11)12)15-7(5)14-3-13-6/h6,9,12H,4-5,7-8H2,1-3H3,(H,24,25,26);7H,4-6,13H2,1-3H3;1,3H,2H2
• InChIKey: GRSANQZXLJCAHV-UHFFFAOYSA-N
• XLogP: 9.89
• TPSA: 148.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	941.36
LogP ≤ 5	9.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?

The IUPAC name of tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (CID 158345698) is tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.

What is the SMILES notation for tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?

The canonical SMILES for tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is CC(C)(C)OC(=O)N1CCC(N)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)C(F)(F)C1.FC(F)(F)Cc1cc2c(Cl)ncnc2s1.

What is the InChIKey of tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?

The InChIKey is GRSANQZXLJCAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F5N4O2S.C10H18F2N2O2.C8H4ClF3N2S/c1-16(2,3)29-15(28)27-5-4-12(17(19,20)8-27)26-13-11-6-10(7-18(21,22)23)30-14(11)25-9-24-13;1-9(2,3)16-8(15)14-5-4-7(13)10(11,12)6-14;9-6-5-1-4(2-8(10,11)12)15-7(5)14-3-13-6/h6,9,12H,4-5,7-8H2,1-3H3,(H,24,25,26);7H,4-6,13H2,1-3H3;1,3H,2H2.

What are the key properties of tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?

tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine has a molecular weight of 941.36 g/mol, XLogP of 9.89, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 158345698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).