N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-(1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[2-(oxolan-3-yloxy)-4-(1H-1,2,4-triazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(2-pyrrolidin-3-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid

C103H93F9N24O12S6 — CID 158103697

About N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-(1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[2-(oxolan-3-yloxy)-4-(1H-1,2,4-triazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(2-pyrrolidin-3-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid

N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-(1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[2-(oxolan-3-yloxy)-4-(1H-1,2,4-triazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(2-pyrrolidin-3-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 158103697) has the molecular formula C103H93F9N24O12S6 and a molecular weight of 2222.42 g/mol. Its IUPAC name is N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-(1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[2-(oxolan-3-yloxy)-4-(1H-1,2,4-triazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(2-pyrrolidin-3-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-(1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[2-(oxolan-3-yloxy)-4-(1H-1,2,4-triazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(2-pyrrolidin-3-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
• PubChem CID: 158103697
• Molecular Formula: C103H93F9N24O12S6
• Molecular Weight: 2222.42 g/mol
• Exact Mass: 2220.56
• IUPAC Name: N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-(1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[2-(oxolan-3-yloxy)-4-(1H-1,2,4-triazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(2-pyrrolidin-3-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
• SMILES: Cc1cc2ncnc(Nc3ccc(F)cc3OC(C)C)c2s1.Cc1cc2ncnc(Nc3ccc(F)cc3OC3CCOC3)c2s1.Cc1cc2ncnc(Nc3ccc(F)cc3OCCC(F)(F)F)c2s1.O=C(O)C(F)(F)F.c1ccc(OC2CCNC2)c(Nc2ncnc3ccsc23)c1.c1n[nH]c(-c2ccc(Nc3ncnc4ccsc34)c(OC3CCOC3)c2)n1.c1noc(-c2ccc(Nc3ncnc4ccsc34)c(OC3CCOC3)c2)n1
• InChI: InChI=1S/C18H16N6O2S.C18H15N5O3S.C17H16FN3O2S.C16H13F4N3OS.C16H16FN3OS.C16H16N4OS.C2HF3O2/c1-2-13(23-18-16-14(4-6-27-16)19-9-20-18)15(26-12-3-5-25-8-12)7-11(1)17-21-10-22-24-17;1-2-13(23-17-16-14(4-6-27-16)19-9-20-17)15(25-12-3-5-24-8-12)7-11(1)18-21-10-22-26-18;1-10-6-14-16(24-10)17(20-9-19-14)21-13-3-2-11(18)7-15(13)23-12-4-5-22-8-12;1-9-6-12-14(25-9)15(22-8-21-12)23-11-3-2-10(17)7-13(11)24-5-4-16(18,19)20;1-9(2)21-14-7-11(17)4-5-12(14)20-16-15-13(18-8-19-16)6-10(3)22-15;1-2-4-14(21-11-5-7-17-9-11)12(3-1)20-16-15-13(6-8-22-15)18-10-19-16;3-2(4,5)1(6)7/h1-2,4,6-7,9-10,12H,3,5,8H2,(H,19,20,23)(H,21,22,24);1-2,4,6-7,9-10,12H,3,5,8H2,(H,19,20,23);2-3,6-7,9,12H,4-5,8H2,1H3,(H,19,20,21);2-3,6-8H,4-5H2,1H3,(H,21,22,23);4-9H,1-3H3,(H,18,19,20);1-4,6,8,10-11,17H,5,7,9H2,(H,18,19,20);(H,6,7)
• InChIKey: SYJTVJXVYLNMEY-UHFFFAOYSA-N
• XLogP: 24.78
• TPSA: 439.75 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 27
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2222.42
LogP ≤ 5	24.78
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-(1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[2-(oxolan-3-yloxy)-4-(1H-1,2,4-triazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(2-pyrrolidin-3-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-(1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[2-(oxolan-3-yloxy)-4-(1H-1,2,4-triazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(2-pyrrolidin-3-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid (CID 158103697) is N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-(1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[2-(oxolan-3-yloxy)-4-(1H-1,2,4-triazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(2-pyrrolidin-3-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-(1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[2-(oxolan-3-yloxy)-4-(1H-1,2,4-triazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(2-pyrrolidin-3-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-(1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[2-(oxolan-3-yloxy)-4-(1H-1,2,4-triazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(2-pyrrolidin-3-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid is Cc1cc2ncnc(Nc3ccc(F)cc3OC(C)C)c2s1.Cc1cc2ncnc(Nc3ccc(F)cc3OC3CCOC3)c2s1.Cc1cc2ncnc(Nc3ccc(F)cc3OCCC(F)(F)F)c2s1.O=C(O)C(F)(F)F.c1ccc(OC2CCNC2)c(Nc2ncnc3ccsc23)c1.c1n[nH]c(-c2ccc(Nc3ncnc4ccsc34)c(OC3CCOC3)c2)n1.c1noc(-c2ccc(Nc3ncnc4ccsc34)c(OC3CCOC3)c2)n1.

What is the InChIKey of N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-(1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[2-(oxolan-3-yloxy)-4-(1H-1,2,4-triazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(2-pyrrolidin-3-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid?

The InChIKey is SYJTVJXVYLNMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S.C18H15N5O3S.C17H16FN3O2S.C16H13F4N3OS.C16H16FN3OS.C16H16N4OS.C2HF3O2/c1-2-13(23-18-16-14(4-6-27-16)19-9-20-18)15(26-12-3-5-25-8-12)7-11(1)17-21-10-22-24-17;1-2-13(23-17-16-14(4-6-27-16)19-9-20-17)15(25-12-3-5-24-8-12)7-11(1)18-21-10-22-26-18;1-10-6-14-16(24-10)17(20-9-19-14)21-13-3-2-11(18)7-15(13)23-12-4-5-22-8-12;1-9-6-12-14(25-9)15(22-8-21-12)23-11-3-2-10(17)7-13(11)24-5-4-16(18,19)20;1-9(2)21-14-7-11(17)4-5-12(14)20-16-15-13(18-8-19-16)6-10(3)22-15;1-2-4-14(21-11-5-7-17-9-11)12(3-1)20-16-15-13(6-8-22-15)18-10-19-16;3-2(4,5)1(6)7/h1-2,4,6-7,9-10,12H,3,5,8H2,(H,19,20,23)(H,21,22,24);1-2,4,6-7,9-10,12H,3,5,8H2,(H,19,20,23);2-3,6-7,9,12H,4-5,8H2,1H3,(H,19,20,21);2-3,6-8H,4-5H2,1H3,(H,21,22,23);4-9H,1-3H3,(H,18,19,20);1-4,6,8,10-11,17H,5,7,9H2,(H,18,19,20);(H,6,7).

What are the key properties of N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-(1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[2-(oxolan-3-yloxy)-4-(1H-1,2,4-triazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(2-pyrrolidin-3-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid?

N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-(1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[2-(oxolan-3-yloxy)-4-(1H-1,2,4-triazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(2-pyrrolidin-3-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 2222.42 g/mol, XLogP of 24.78, 27 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-(1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[2-(oxolan-3-yloxy)-4-(1H-1,2,4-triazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(2-pyrrolidin-3-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158103697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).