1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-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-(cyclohexen-1-yl)thieno[3,2-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-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C108H115F15N22O2S4 — CID 165092701

About 1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-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-(cyclohexen-1-yl)thieno[3,2-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-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-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-(cyclohexen-1-yl)thieno[3,2-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-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 165092701) has the molecular formula C108H115F15N22O2S4 and a molecular weight of 2166.50 g/mol. Its IUPAC name is 1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-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-(cyclohexen-1-yl)thieno[3,2-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-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

• Compound Name: 1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-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-(cyclohexen-1-yl)thieno[3,2-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-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
• PubChem CID: 165092701
• Molecular Formula: C108H115F15N22O2S4
• Molecular Weight: 2166.50 g/mol
• Exact Mass: 2164.82
• IUPAC Name: 1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-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-(cyclohexen-1-yl)thieno[3,2-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-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
• SMILES: C=C(COC)N1CC=C(c2cc3c(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)ncnc3s2)CC1.CC1CCC(O)(c2cc3c(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)ncnc3s2)CC1.C[C@@H](Nc1ncnc2cc(C3=CCCCC3)sc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnc2sc(C3=CCCCC3)cc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnn2cc(N3CCCCC3)cc12)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C24H26F3N5OS.C22H25F3N4OS.2C21H21F3N4S.C20H22F3N5/c1-14(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;1-12-3-5-21(30,6-4-12)18-10-17-19(27-11-28-20(17)31-18)29-13(2)14-7-15(22(23,24)25)9-16(26)8-14;1-12(14-7-15(21(22,23)24)9-16(25)8-14)28-20-19-17(26-11-27-20)10-18(29-19)13-5-3-2-4-6-13;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;1-14(15-6-5-7-16(10-15)20(21,22)23)26-19-18-11-17(12-28(18)25-13-24-19)27-8-3-2-4-9-27/h4,8-11,13,15H,1,5-7,12,28H2,2-3H3,(H,29,30,31);7-13,30H,3-6,26H2,1-2H3,(H,27,28,29);2*5,7-12H,2-4,6,25H2,1H3,(H,26,27,28);5-7,10-14H,2-4,8-9H2,1H3,(H,24,25,26)/t15-;12?,13-,21?;2*12-;14-/m11111/s1
• InChIKey: WZCPIMTVPHYZAN-GEDKXKHESA-N
• XLogP: 29.33
• TPSA: 333.48 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2166.50
LogP ≤ 5	29.33
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-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-(cyclohexen-1-yl)thieno[3,2-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-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The IUPAC name of 1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-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-(cyclohexen-1-yl)thieno[3,2-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-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 165092701) is 1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-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-(cyclohexen-1-yl)thieno[3,2-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-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

What is the SMILES notation for 1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-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-(cyclohexen-1-yl)thieno[3,2-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-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The canonical SMILES for 1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-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-(cyclohexen-1-yl)thieno[3,2-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-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is C=C(COC)N1CC=C(c2cc3c(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)ncnc3s2)CC1.CC1CCC(O)(c2cc3c(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)ncnc3s2)CC1.C[C@@H](Nc1ncnc2cc(C3=CCCCC3)sc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnc2sc(C3=CCCCC3)cc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnn2cc(N3CCCCC3)cc12)c1cccc(C(F)(F)F)c1.

What is the InChIKey of 1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-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-(cyclohexen-1-yl)thieno[3,2-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-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The InChIKey is WZCPIMTVPHYZAN-GEDKXKHESA-N. The full InChI is InChI=1S/C24H26F3N5OS.C22H25F3N4OS.2C21H21F3N4S.C20H22F3N5/c1-14(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;1-12-3-5-21(30,6-4-12)18-10-17-19(27-11-28-20(17)31-18)29-13(2)14-7-15(22(23,24)25)9-16(26)8-14;1-12(14-7-15(21(22,23)24)9-16(25)8-14)28-20-19-17(26-11-27-20)10-18(29-19)13-5-3-2-4-6-13;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;1-14(15-6-5-7-16(10-15)20(21,22)23)26-19-18-11-17(12-28(18)25-13-24-19)27-8-3-2-4-9-27/h4,8-11,13,15H,1,5-7,12,28H2,2-3H3,(H,29,30,31);7-13,30H,3-6,26H2,1-2H3,(H,27,28,29);2*5,7-12H,2-4,6,25H2,1H3,(H,26,27,28);5-7,10-14H,2-4,8-9H2,1H3,(H,24,25,26)/t15-;12?,13-,21?;2*12-;14-/m11111/s1.

What are the key properties of 1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-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-(cyclohexen-1-yl)thieno[3,2-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-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?

1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-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-(cyclohexen-1-yl)thieno[3,2-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-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 2166.50 g/mol, XLogP of 29.33, 23 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-methylcyclohexan-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-(cyclohexen-1-yl)thieno[3,2-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-piperidin-1-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 165092701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).