N-[1-[(2-aminophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;[4-[(1-benzylpiperidin-4-yl)amino]-6-ethylthieno[2,3-d]pyrimidin-5-yl]methanol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzene-1,3-diol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenol;[2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenyl]methanol

C102H113F12N21O5S5 — CID 162119091

About N-[1-[(2-aminophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;[4-[(1-benzylpiperidin-4-yl)amino]-6-ethylthieno[2,3-d]pyrimidin-5-yl]methanol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzene-1,3-diol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenol;[2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenyl]methanol

N-[1-[(2-aminophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;[4-[(1-benzylpiperidin-4-yl)amino]-6-ethylthieno[2,3-d]pyrimidin-5-yl]methanol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzene-1,3-diol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenol;[2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenyl]methanol (PubChem CID 162119091) has the molecular formula C102H113F12N21O5S5 and a molecular weight of 2101.48 g/mol. Its IUPAC name is N-[1-[(2-aminophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;[4-[(1-benzylpiperidin-4-yl)amino]-6-ethylthieno[2,3-d]pyrimidin-5-yl]methanol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzene-1,3-diol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenol;[2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenyl]methanol.

Molecular Properties

• Compound Name: N-[1-[(2-aminophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;[4-[(1-benzylpiperidin-4-yl)amino]-6-ethylthieno[2,3-d]pyrimidin-5-yl]methanol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzene-1,3-diol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenol;[2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenyl]methanol
• PubChem CID: 162119091
• Molecular Formula: C102H113F12N21O5S5
• Molecular Weight: 2101.48 g/mol
• Exact Mass: 2099.76
• IUPAC Name: N-[1-[(2-aminophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;[4-[(1-benzylpiperidin-4-yl)amino]-6-ethylthieno[2,3-d]pyrimidin-5-yl]methanol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzene-1,3-diol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenol;[2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenyl]methanol
• SMILES: CCc1sc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2c1CO.Nc1ccccc1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1.OCc1ccccc1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1.Oc1cccc(O)c1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1.Oc1ccccc1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1
• InChI: InChI=1S/C21H23F3N4OS.C21H26N4OS.C20H22F3N5S.C20H21F3N4O2S.C20H21F3N4OS/c22-21(23,24)10-17-9-18-19(25-13-26-20(18)30-17)27-16-5-7-28(8-6-16)11-14-3-1-2-4-15(14)12-29;1-2-18-17(13-26)19-20(22-14-23-21(19)27-18)24-16-8-10-25(11-9-16)12-15-6-4-3-5-7-15;21-20(22,23)10-15-9-16-18(25-12-26-19(16)29-15)27-14-5-7-28(8-6-14)11-13-3-1-2-4-17(13)24;21-20(22,23)9-13-8-14-18(24-11-25-19(14)30-13)26-12-4-6-27(7-5-12)10-15-16(28)2-1-3-17(15)29;21-20(22,23)10-15-9-16-18(24-12-25-19(16)29-15)26-14-5-7-27(8-6-14)11-13-3-1-2-4-17(13)28/h1-4,9,13,16,29H,5-8,10-12H2,(H,25,26,27);3-7,14,16,26H,2,8-13H2,1H3,(H,22,23,24);1-4,9,12,14H,5-8,10-11,24H2,(H,25,26,27);1-3,8,11-12,28-29H,4-7,9-10H2,(H,24,25,26);1-4,9,12,14,28H,5-8,10-11H2,(H,24,25,26)
• InChIKey: ZHDZWLPAFYBNFF-UHFFFAOYSA-N
• XLogP: 21.50
• TPSA: 332.42 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2101.48
LogP ≤ 5	21.50
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-aminophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;[4-[(1-benzylpiperidin-4-yl)amino]-6-ethylthieno[2,3-d]pyrimidin-5-yl]methanol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzene-1,3-diol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenol;[2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenyl]methanol?

The IUPAC name of N-[1-[(2-aminophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;[4-[(1-benzylpiperidin-4-yl)amino]-6-ethylthieno[2,3-d]pyrimidin-5-yl]methanol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzene-1,3-diol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenol;[2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenyl]methanol (CID 162119091) is N-[1-[(2-aminophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;[4-[(1-benzylpiperidin-4-yl)amino]-6-ethylthieno[2,3-d]pyrimidin-5-yl]methanol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzene-1,3-diol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenol;[2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenyl]methanol.

What is the SMILES notation for N-[1-[(2-aminophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;[4-[(1-benzylpiperidin-4-yl)amino]-6-ethylthieno[2,3-d]pyrimidin-5-yl]methanol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzene-1,3-diol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenol;[2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenyl]methanol?

The canonical SMILES for N-[1-[(2-aminophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;[4-[(1-benzylpiperidin-4-yl)amino]-6-ethylthieno[2,3-d]pyrimidin-5-yl]methanol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzene-1,3-diol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenol;[2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenyl]methanol is CCc1sc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2c1CO.Nc1ccccc1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1.OCc1ccccc1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1.Oc1cccc(O)c1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1.Oc1ccccc1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1.

What is the InChIKey of N-[1-[(2-aminophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;[4-[(1-benzylpiperidin-4-yl)amino]-6-ethylthieno[2,3-d]pyrimidin-5-yl]methanol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzene-1,3-diol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenol;[2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenyl]methanol?

The InChIKey is ZHDZWLPAFYBNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4OS.C21H26N4OS.C20H22F3N5S.C20H21F3N4O2S.C20H21F3N4OS/c22-21(23,24)10-17-9-18-19(25-13-26-20(18)30-17)27-16-5-7-28(8-6-16)11-14-3-1-2-4-15(14)12-29;1-2-18-17(13-26)19-20(22-14-23-21(19)27-18)24-16-8-10-25(11-9-16)12-15-6-4-3-5-7-15;21-20(22,23)10-15-9-16-18(25-12-26-19(16)29-15)27-14-5-7-28(8-6-14)11-13-3-1-2-4-17(13)24;21-20(22,23)9-13-8-14-18(24-11-25-19(14)30-13)26-12-4-6-27(7-5-12)10-15-16(28)2-1-3-17(15)29;21-20(22,23)10-15-9-16-18(24-12-25-19(16)29-15)26-14-5-7-27(8-6-14)11-13-3-1-2-4-17(13)28/h1-4,9,13,16,29H,5-8,10-12H2,(H,25,26,27);3-7,14,16,26H,2,8-13H2,1H3,(H,22,23,24);1-4,9,12,14H,5-8,10-11,24H2,(H,25,26,27);1-3,8,11-12,28-29H,4-7,9-10H2,(H,24,25,26);1-4,9,12,14,28H,5-8,10-11H2,(H,24,25,26).

What are the key properties of N-[1-[(2-aminophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;[4-[(1-benzylpiperidin-4-yl)amino]-6-ethylthieno[2,3-d]pyrimidin-5-yl]methanol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzene-1,3-diol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenol;[2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenyl]methanol?

N-[1-[(2-aminophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;[4-[(1-benzylpiperidin-4-yl)amino]-6-ethylthieno[2,3-d]pyrimidin-5-yl]methanol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzene-1,3-diol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenol;[2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenyl]methanol has a molecular weight of 2101.48 g/mol, XLogP of 21.50, 27 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-aminophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;[4-[(1-benzylpiperidin-4-yl)amino]-6-ethylthieno[2,3-d]pyrimidin-5-yl]methanol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzene-1,3-diol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenol;[2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 162119091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).