4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;N-(1-phenylcyclopropyl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine;(6R)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine

C72H76ClF9N12S3 — CID 165006390

About 4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;N-(1-phenylcyclopropyl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine;(6R)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine

4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;N-(1-phenylcyclopropyl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine;(6R)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine (PubChem CID 165006390) has the molecular formula C72H76ClF9N12S3 and a molecular weight of 1412.12 g/mol. Its IUPAC name is 4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;N-(1-phenylcyclopropyl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine;(6R)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine.

Molecular Properties

• Compound Name: 4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;N-(1-phenylcyclopropyl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine;(6R)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine
• PubChem CID: 165006390
• Molecular Formula: C72H76ClF9N12S3
• Molecular Weight: 1412.12 g/mol
• Exact Mass: 1410.50
• IUPAC Name: 4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;N-(1-phenylcyclopropyl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine;(6R)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine
• SMILES: FC(F)(F)Cc1cc2c(Cl)ncnc2s1.FC(F)(F)Cc1cc2c(N3CC4(CC[C@@H](NC5(c6ccccc6)CC5)C4)C3)ncnc2s1.FC(F)(F)Cc1cc2c(N3CC4(CC[C@H](NC5(c6ccccc6)CC5)C4)C3)ncnc2s1.c1ccc(C2(NC3CCC4(CNC4)C3)CC2)cc1
• InChI: InChI=1S/2C24H25F3N4S.C16H22N2.C8H4ClF3N2S/c2*25-24(26,27)12-18-10-19-20(28-15-29-21(19)32-18)31-13-22(14-31)7-6-17(11-22)30-23(8-9-23)16-4-2-1-3-5-16;1-2-4-13(5-3-1)16(8-9-16)18-14-6-7-15(10-14)11-17-12-15;9-6-5-1-4(2-8(10,11)12)15-7(5)14-3-13-6/h2*1-5,10,15,17,30H,6-9,11-14H2;1-5,14,17-18H,6-12H2;1,3H,2H2/t2*17-;;/m10../s1
• InChIKey: JAIIZMHGXRBHCQ-LEFSJLFRSA-N
• XLogP: 16.72
• TPSA: 131.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1412.12
LogP ≤ 5	16.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;N-(1-phenylcyclopropyl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine;(6R)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine?

The IUPAC name of 4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;N-(1-phenylcyclopropyl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine;(6R)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine (CID 165006390) is 4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;N-(1-phenylcyclopropyl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine;(6R)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine.

What is the SMILES notation for 4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;N-(1-phenylcyclopropyl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine;(6R)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine?

The canonical SMILES for 4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;N-(1-phenylcyclopropyl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine;(6R)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine is FC(F)(F)Cc1cc2c(Cl)ncnc2s1.FC(F)(F)Cc1cc2c(N3CC4(CC[C@@H](NC5(c6ccccc6)CC5)C4)C3)ncnc2s1.FC(F)(F)Cc1cc2c(N3CC4(CC[C@H](NC5(c6ccccc6)CC5)C4)C3)ncnc2s1.c1ccc(C2(NC3CCC4(CNC4)C3)CC2)cc1.

What is the InChIKey of 4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;N-(1-phenylcyclopropyl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine;(6R)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine?

The InChIKey is JAIIZMHGXRBHCQ-LEFSJLFRSA-N. The full InChI is InChI=1S/2C24H25F3N4S.C16H22N2.C8H4ClF3N2S/c2*25-24(26,27)12-18-10-19-20(28-15-29-21(19)32-18)31-13-22(14-31)7-6-17(11-22)30-23(8-9-23)16-4-2-1-3-5-16;1-2-4-13(5-3-1)16(8-9-16)18-14-6-7-15(10-14)11-17-12-15;9-6-5-1-4(2-8(10,11)12)15-7(5)14-3-13-6/h2*1-5,10,15,17,30H,6-9,11-14H2;1-5,14,17-18H,6-12H2;1,3H,2H2/t2*17-;;/m10../s1.

What are the key properties of 4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;N-(1-phenylcyclopropyl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine;(6R)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine?

4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;N-(1-phenylcyclopropyl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine;(6R)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine has a molecular weight of 1412.12 g/mol, XLogP of 16.72, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;N-(1-phenylcyclopropyl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine;(6R)-N-(1-phenylcyclopropyl)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine is sourced from PubChem (CID 165006390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).