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

C36H45Cl3F6N8O4S2 — CID 159022411

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

tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (PubChem CID 159022411) has the molecular formula C36H45Cl3F6N8O4S2 and a molecular weight of 938.29 g/mol. Its IUPAC name is tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
• PubChem CID: 159022411
• Molecular Formula: C36H45Cl3F6N8O4S2
• Molecular Weight: 938.29 g/mol
• Exact Mass: 936.20
• IUPAC Name: tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
• SMILES: CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(Nc2nc(Cl)nc3sc(CC(F)(F)F)cc23)CC1.FC(F)(F)Cc1cc2c(Cl)nc(Cl)nc2s1
• InChI: InChI=1S/C18H22ClF3N4O2S.C10H20N2O2.C8H3Cl2F3N2S/c1-17(2,3)28-16(27)26-6-4-10(5-7-26)23-13-12-8-11(9-18(20,21)22)29-14(12)25-15(19)24-13;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;9-5-4-1-3(2-8(11,12)13)16-6(4)15-7(10)14-5/h8,10H,4-7,9H2,1-3H3,(H,23,24,25);8H,4-7,11H2,1-3H3;1H,2H2
• InChIKey: JTWCSMYBQOYYFZ-UHFFFAOYSA-N
• XLogP: 10.71
• TPSA: 148.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	938.29
LogP ≤ 5	10.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (CID 159022411) is tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.

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

The canonical SMILES for tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(Nc2nc(Cl)nc3sc(CC(F)(F)F)cc23)CC1.FC(F)(F)Cc1cc2c(Cl)nc(Cl)nc2s1.

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

The InChIKey is JTWCSMYBQOYYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF3N4O2S.C10H20N2O2.C8H3Cl2F3N2S/c1-17(2,3)28-16(27)26-6-4-10(5-7-26)23-13-12-8-11(9-18(20,21)22)29-14(12)25-15(19)24-13;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;9-5-4-1-3(2-8(11,12)13)16-6(4)15-7(10)14-5/h8,10H,4-7,9H2,1-3H3,(H,23,24,25);8H,4-7,11H2,1-3H3;1H,2H2.

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

tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine has a molecular weight of 938.29 g/mol, XLogP of 10.71, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 159022411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).