tert-butyl N-[(1S,3R)-3-(ethylamino)cyclopentyl]carbamate;tert-butyl N-[(1S,3R)-3-[ethyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

C40H55ClF6N8O4S2 — CID 157106566

About tert-butyl N-[(1S,3R)-3-(ethylamino)cyclopentyl]carbamate;tert-butyl N-[(1S,3R)-3-[ethyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

tert-butyl N-[(1S,3R)-3-(ethylamino)cyclopentyl]carbamate;tert-butyl N-[(1S,3R)-3-[ethyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (PubChem CID 157106566) has the molecular formula C40H55ClF6N8O4S2 and a molecular weight of 925.51 g/mol. Its IUPAC name is tert-butyl N-[(1S,3R)-3-(ethylamino)cyclopentyl]carbamate;tert-butyl N-[(1S,3R)-3-[ethyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: tert-butyl N-[(1S,3R)-3-(ethylamino)cyclopentyl]carbamate;tert-butyl N-[(1S,3R)-3-[ethyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
• PubChem CID: 157106566
• Molecular Formula: C40H55ClF6N8O4S2
• Molecular Weight: 925.51 g/mol
• Exact Mass: 924.34
• IUPAC Name: tert-butyl N-[(1S,3R)-3-(ethylamino)cyclopentyl]carbamate;tert-butyl N-[(1S,3R)-3-[ethyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
• SMILES: CCN(c1ncnc2sc(CC(F)(F)F)cc12)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1.CCN[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1.FC(F)(F)Cc1cc2c(Cl)ncnc2s1
• InChI: InChI=1S/C20H27F3N4O2S.C12H24N2O2.C8H4ClF3N2S/c1-5-27(13-7-6-12(8-13)26-18(28)29-19(2,3)4)16-15-9-14(10-20(21,22)23)30-17(15)25-11-24-16;1-5-13-9-6-7-10(8-9)14-11(15)16-12(2,3)4;9-6-5-1-4(2-8(10,11)12)15-7(5)14-3-13-6/h9,11-13H,5-8,10H2,1-4H3,(H,26,28);9-10,13H,5-8H2,1-4H3,(H,14,15);1,3H,2H2/t12-,13+;9-,10+;/m01./s1
• InChIKey: AGJFNRPFCOLFIM-GDEUOIEWSA-N
• XLogP: 10.56
• TPSA: 143.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	925.51
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3R)-3-(ethylamino)cyclopentyl]carbamate;tert-butyl N-[(1S,3R)-3-[ethyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?

The IUPAC name of tert-butyl N-[(1S,3R)-3-(ethylamino)cyclopentyl]carbamate;tert-butyl N-[(1S,3R)-3-[ethyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (CID 157106566) is tert-butyl N-[(1S,3R)-3-(ethylamino)cyclopentyl]carbamate;tert-butyl N-[(1S,3R)-3-[ethyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.

What is the SMILES notation for tert-butyl N-[(1S,3R)-3-(ethylamino)cyclopentyl]carbamate;tert-butyl N-[(1S,3R)-3-[ethyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?

The canonical SMILES for tert-butyl N-[(1S,3R)-3-(ethylamino)cyclopentyl]carbamate;tert-butyl N-[(1S,3R)-3-[ethyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is CCN(c1ncnc2sc(CC(F)(F)F)cc12)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1.CCN[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1.FC(F)(F)Cc1cc2c(Cl)ncnc2s1.

What is the InChIKey of tert-butyl N-[(1S,3R)-3-(ethylamino)cyclopentyl]carbamate;tert-butyl N-[(1S,3R)-3-[ethyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?

The InChIKey is AGJFNRPFCOLFIM-GDEUOIEWSA-N. The full InChI is InChI=1S/C20H27F3N4O2S.C12H24N2O2.C8H4ClF3N2S/c1-5-27(13-7-6-12(8-13)26-18(28)29-19(2,3)4)16-15-9-14(10-20(21,22)23)30-17(15)25-11-24-16;1-5-13-9-6-7-10(8-9)14-11(15)16-12(2,3)4;9-6-5-1-4(2-8(10,11)12)15-7(5)14-3-13-6/h9,11-13H,5-8,10H2,1-4H3,(H,26,28);9-10,13H,5-8H2,1-4H3,(H,14,15);1,3H,2H2/t12-,13+;9-,10+;/m01./s1.

What are the key properties of tert-butyl N-[(1S,3R)-3-(ethylamino)cyclopentyl]carbamate;tert-butyl N-[(1S,3R)-3-[ethyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?

tert-butyl N-[(1S,3R)-3-(ethylamino)cyclopentyl]carbamate;tert-butyl N-[(1S,3R)-3-[ethyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine has a molecular weight of 925.51 g/mol, XLogP of 10.56, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1S,3R)-3-(ethylamino)cyclopentyl]carbamate;tert-butyl N-[(1S,3R)-3-[ethyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]carbamate;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 157106566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).