N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol

C115H122F15N19O3S5 — CID 165005365

About N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol

N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol (PubChem CID 165005365) has the molecular formula C115H122F15N19O3S5 and a molecular weight of 2263.68 g/mol. Its IUPAC name is N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol
• PubChem CID: 165005365
• Molecular Formula: C115H122F15N19O3S5
• Molecular Weight: 2263.68 g/mol
• Exact Mass: 2261.83
• IUPAC Name: N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol
• SMILES: C=C(COC)N1CC=C(c2cc3c(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)ncnc3s2)CC1.C=C(COC)N1CC=C(c2cc3nc(C)nc(N[C@H](C)c4cccc(C(F)(F)F)c4)c3s2)CC1.C[C@@H](Nc1ncnc2sc(C3=CCCCC3)cc12)c1cc(N)cc(C(F)(F)F)c1.Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2sc(C3(O)CCC(C)CC3)cc2n1.Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2sc(C3=CCCCC3)cc2n1
• InChI: InChI=1S/C25H27F3N4OS.C24H26F3N5OS.C23H26F3N3OS.C22H22F3N3S.C21H21F3N4S/c1-15(14-33-4)32-10-8-18(9-11-32)22-13-21-23(34-22)24(31-17(3)30-21)29-16(2)19-6-5-7-20(12-19)25(26,27)28;1-14(12-33-3)32-6-4-16(5-7-32)21-11-20-22(29-13-30-23(20)34-21)31-15(2)17-8-18(24(25,26)27)10-19(28)9-17;1-13-7-9-22(30,10-8-13)19-12-18-20(31-19)21(29-15(3)28-18)27-14(2)16-5-4-6-17(11-16)23(24,25)26;1-13(16-9-6-10-17(11-16)22(23,24)25)26-21-20-18(27-14(2)28-21)12-19(29-20)15-7-4-3-5-8-15;1-12(14-7-15(21(22,23)24)9-16(25)8-14)28-19-17-10-18(13-5-3-2-4-6-13)29-20(17)27-11-26-19/h5-8,12-13,16H,1,9-11,14H2,2-4H3,(H,29,30,31);4,8-11,13,15H,1,5-7,12,28H2,2-3H3,(H,29,30,31);4-6,11-14,30H,7-10H2,1-3H3,(H,27,28,29);6-7,9-13H,3-5,8H2,1-2H3,(H,26,27,28);5,7-12H,2-4,6,25H2,1H3,(H,26,27,28)/t16-;15-;13?,14-,22?;13-;12-/m11111/s1
• InChIKey: IWMUFBAFVXESJY-PWLHBOIUSA-N
• XLogP: 32.32
• TPSA: 286.26 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2263.68
LogP ≤ 5	32.32
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol?

The IUPAC name of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol (CID 165005365) is N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol.

What is the SMILES notation for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol?

The canonical SMILES for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol is C=C(COC)N1CC=C(c2cc3c(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)ncnc3s2)CC1.C=C(COC)N1CC=C(c2cc3nc(C)nc(N[C@H](C)c4cccc(C(F)(F)F)c4)c3s2)CC1.C[C@@H](Nc1ncnc2sc(C3=CCCCC3)cc12)c1cc(N)cc(C(F)(F)F)c1.Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2sc(C3(O)CCC(C)CC3)cc2n1.Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2sc(C3=CCCCC3)cc2n1.

What is the InChIKey of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol?

The InChIKey is IWMUFBAFVXESJY-PWLHBOIUSA-N. The full InChI is InChI=1S/C25H27F3N4OS.C24H26F3N5OS.C23H26F3N3OS.C22H22F3N3S.C21H21F3N4S/c1-15(14-33-4)32-10-8-18(9-11-32)22-13-21-23(34-22)24(31-17(3)30-21)29-16(2)19-6-5-7-20(12-19)25(26,27)28;1-14(12-33-3)32-6-4-16(5-7-32)21-11-20-22(29-13-30-23(20)34-21)31-15(2)17-8-18(24(25,26)27)10-19(28)9-17;1-13-7-9-22(30,10-8-13)19-12-18-20(31-19)21(29-15(3)28-18)27-14(2)16-5-4-6-17(11-16)23(24,25)26;1-13(16-9-6-10-17(11-16)22(23,24)25)26-21-20-18(27-14(2)28-21)12-19(29-20)15-7-4-3-5-8-15;1-12(14-7-15(21(22,23)24)9-16(25)8-14)28-19-17-10-18(13-5-3-2-4-6-13)29-20(17)27-11-26-19/h5-8,12-13,16H,1,9-11,14H2,2-4H3,(H,29,30,31);4,8-11,13,15H,1,5-7,12,28H2,2-3H3,(H,29,30,31);4-6,11-14,30H,7-10H2,1-3H3,(H,27,28,29);6-7,9-13H,3-5,8H2,1-2H3,(H,26,27,28);5,7-12H,2-4,6,25H2,1H3,(H,26,27,28)/t16-;15-;13?,14-,22?;13-;12-/m11111/s1.

What are the key properties of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol?

N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol has a molecular weight of 2263.68 g/mol, XLogP of 32.32, 26 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)thieno[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;6-[1-(3-methoxyprop-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine;4-methyl-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]cyclohexan-1-ol is sourced from PubChem (CID 165005365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).