2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;2,4-dichlorothieno[3,2-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol

C64H70Cl3N17O11S3 — CID 167567348

About 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;2,4-dichlorothieno[3,2-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol

2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;2,4-dichlorothieno[3,2-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 167567348) has the molecular formula C64H70Cl3N17O11S3 and a molecular weight of 1455.93 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;2,4-dichlorothieno[3,2-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;2,4-dichlorothieno[3,2-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
• PubChem CID: 167567348
• Molecular Formula: C64H70Cl3N17O11S3
• Molecular Weight: 1455.93 g/mol
• Exact Mass: 1453.37
• IUPAC Name: 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;2,4-dichlorothieno[3,2-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
• SMILES: COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(Cl)nc4ccsc34)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nc4ccsc34)c2)cc(OC)c1OC.Clc1nc(Cl)c2sccc2n1.OC[C@@H]1CCCN1
• InChI: InChI=1S/C23H26N6O4S.C18H16ClN5O3S.C12H15N3O3.C6H2Cl2N2S.C5H11NO/c1-31-17-9-15(10-18(32-2)20(17)33-3)28-11-19(24-13-28)26-22-21-16(6-8-34-21)25-23(27-22)29-7-4-5-14(29)12-30;1-25-12-6-10(7-13(26-2)15(12)27-3)24-8-14(20-9-24)22-17-16-11(4-5-28-16)21-18(19)23-17;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;7-5-4-3(1-2-11-4)9-6(8)10-5;7-4-5-2-1-3-6-5/h6,8-11,13-14,30H,4-5,7,12H2,1-3H3,(H,25,26,27);4-9H,1-3H3,(H,21,22,23);4-7H,13H2,1-3H3;1-2H;5-7H,1-4H2/t14-;;;;5-/m0...0/s1
• InChIKey: FLMLSFJWJITRBN-YACGQVLNSA-N
• XLogP: 12.12
• TPSA: 319.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1455.93
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;2,4-dichlorothieno[3,2-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?

The IUPAC name of 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;2,4-dichlorothieno[3,2-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 167567348) is 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;2,4-dichlorothieno[3,2-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

What is the SMILES notation for 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;2,4-dichlorothieno[3,2-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?

The canonical SMILES for 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;2,4-dichlorothieno[3,2-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(Cl)nc4ccsc34)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nc4ccsc34)c2)cc(OC)c1OC.Clc1nc(Cl)c2sccc2n1.OC[C@@H]1CCCN1.

What is the InChIKey of 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;2,4-dichlorothieno[3,2-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?

The InChIKey is FLMLSFJWJITRBN-YACGQVLNSA-N. The full InChI is InChI=1S/C23H26N6O4S.C18H16ClN5O3S.C12H15N3O3.C6H2Cl2N2S.C5H11NO/c1-31-17-9-15(10-18(32-2)20(17)33-3)28-11-19(24-13-28)26-22-21-16(6-8-34-21)25-23(27-22)29-7-4-5-14(29)12-30;1-25-12-6-10(7-13(26-2)15(12)27-3)24-8-14(20-9-24)22-17-16-11(4-5-28-16)21-18(19)23-17;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;7-5-4-3(1-2-11-4)9-6(8)10-5;7-4-5-2-1-3-6-5/h6,8-11,13-14,30H,4-5,7,12H2,1-3H3,(H,25,26,27);4-9H,1-3H3,(H,21,22,23);4-7H,13H2,1-3H3;1-2H;5-7H,1-4H2/t14-;;;;5-/m0...0/s1.

What are the key properties of 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;2,4-dichlorothieno[3,2-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?

2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;2,4-dichlorothieno[3,2-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 1455.93 g/mol, XLogP of 12.12, 19 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;2,4-dichlorothieno[3,2-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167567348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).