N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chloro-4-piperidin-1-ylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C114H129Cl2F15N22S5 — CID 160997221

About N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chloro-4-piperidin-1-ylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chloro-4-piperidin-1-ylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 160997221) has the molecular formula C114H129Cl2F15N22S5 and a molecular weight of 2323.65 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chloro-4-piperidin-1-ylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chloro-4-piperidin-1-ylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 160997221
• Molecular Formula: C114H129Cl2F15N22S5
• Molecular Weight: 2323.65 g/mol
• Exact Mass: 2320.85
• IUPAC Name: N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chloro-4-piperidin-1-ylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: CCc1ccc(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1.Cc1ccccc1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1.FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccc(CN5CCCCC5)cc4)CC3)ncnc2s1.FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccc(N5CCCCC5)cc4Cl)CC3)ncnc2s1.FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccccc4Cl)CC3)ncnc2s1
• InChI: InChI=1S/C26H32F3N5S.C25H29ClF3N5S.C22H25F3N4S.C21H23F3N4S.C20H20ClF3N4S/c27-26(28,29)15-22-14-23-24(30-18-31-25(23)35-22)32-21-8-12-34(13-9-21)17-20-6-4-19(5-7-20)16-33-10-2-1-3-11-33;26-22-12-19(34-8-2-1-3-9-34)5-4-17(22)15-33-10-6-18(7-11-33)32-23-21-13-20(14-25(27,28)29)35-24(21)31-16-30-23;1-2-15-3-5-16(6-4-15)13-29-9-7-17(8-10-29)28-20-19-11-18(12-22(23,24)25)30-21(19)27-14-26-20;1-14-4-2-3-5-15(14)12-28-8-6-16(7-9-28)27-19-18-10-17(11-21(22,23)24)29-20(18)26-13-25-19;21-17-4-2-1-3-13(17)11-28-7-5-14(6-8-28)27-18-16-9-15(10-20(22,23)24)29-19(16)26-12-25-18/h4-7,14,18,21H,1-3,8-13,15-17H2,(H,30,31,32);4-5,12-13,16,18H,1-3,6-11,14-15H2,(H,30,31,32);3-6,11,14,17H,2,7-10,12-13H2,1H3,(H,26,27,28);2-5,10,13,16H,6-9,11-12H2,1H3,(H,25,26,27);1-4,9,12,14H,5-8,10-11H2,(H,25,26,27)
• InChIKey: TVKGFFAGKKZQMB-UHFFFAOYSA-N
• XLogP: 28.52
• TPSA: 211.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2323.65
LogP ≤ 5	28.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chloro-4-piperidin-1-ylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chloro-4-piperidin-1-ylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 160997221) is N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chloro-4-piperidin-1-ylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chloro-4-piperidin-1-ylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chloro-4-piperidin-1-ylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is CCc1ccc(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1.Cc1ccccc1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1.FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccc(CN5CCCCC5)cc4)CC3)ncnc2s1.FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccc(N5CCCCC5)cc4Cl)CC3)ncnc2s1.FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccccc4Cl)CC3)ncnc2s1.

What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chloro-4-piperidin-1-ylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is TVKGFFAGKKZQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N5S.C25H29ClF3N5S.C22H25F3N4S.C21H23F3N4S.C20H20ClF3N4S/c27-26(28,29)15-22-14-23-24(30-18-31-25(23)35-22)32-21-8-12-34(13-9-21)17-20-6-4-19(5-7-20)16-33-10-2-1-3-11-33;26-22-12-19(34-8-2-1-3-9-34)5-4-17(22)15-33-10-6-18(7-11-33)32-23-21-13-20(14-25(27,28)29)35-24(21)31-16-30-23;1-2-15-3-5-16(6-4-15)13-29-9-7-17(8-10-29)28-20-19-11-18(12-22(23,24)25)30-21(19)27-14-26-20;1-14-4-2-3-5-15(14)12-28-8-6-16(7-9-28)27-19-18-10-17(11-21(22,23)24)29-20(18)26-13-25-19;21-17-4-2-1-3-13(17)11-28-7-5-14(6-8-28)27-18-16-9-15(10-20(22,23)24)29-19(16)26-12-25-18/h4-7,14,18,21H,1-3,8-13,15-17H2,(H,30,31,32);4-5,12-13,16,18H,1-3,6-11,14-15H2,(H,30,31,32);3-6,11,14,17H,2,7-10,12-13H2,1H3,(H,26,27,28);2-5,10,13,16H,6-9,11-12H2,1H3,(H,25,26,27);1-4,9,12,14H,5-8,10-11H2,(H,25,26,27).

What are the key properties of N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chloro-4-piperidin-1-ylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chloro-4-piperidin-1-ylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 2323.65 g/mol, XLogP of 28.52, 29 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chloro-4-piperidin-1-ylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 160997221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).