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

C55H49Cl3F3N17O2S3 — CID 167550983

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

2-chloro-N-[1-(4-fluorophenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;2,4-dichlorothieno[2,3-d]pyrimidine;1-(4-fluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(4-fluorophenyl)imidazol-4-yl]amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 167550983) has the molecular formula C55H49Cl3F3N17O2S3 and a molecular weight of 1239.67 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-fluorophenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;2,4-dichlorothieno[2,3-d]pyrimidine;1-(4-fluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(4-fluorophenyl)imidazol-4-yl]amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: 2-chloro-N-[1-(4-fluorophenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;2,4-dichlorothieno[2,3-d]pyrimidine;1-(4-fluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(4-fluorophenyl)imidazol-4-yl]amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
• PubChem CID: 167550983
• Molecular Formula: C55H49Cl3F3N17O2S3
• Molecular Weight: 1239.67 g/mol
• Exact Mass: 1237.24
• IUPAC Name: 2-chloro-N-[1-(4-fluorophenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;2,4-dichlorothieno[2,3-d]pyrimidine;1-(4-fluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(4-fluorophenyl)imidazol-4-yl]amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
• SMILES: Clc1nc(Cl)c2ccsc2n1.Fc1ccc(-n2cnc(Nc3nc(Cl)nc4sccc34)c2)cc1.Nc1cn(-c2ccc(F)cc2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccc(F)cc3)cn2)c2ccsc2n1
• InChI: InChI=1S/C20H19FN6OS.C15H9ClFN5S.C9H8FN3.C6H2Cl2N2S.C5H11NO/c21-13-3-5-14(6-4-13)26-10-17(22-12-26)23-18-16-7-9-29-19(16)25-20(24-18)27-8-1-2-15(27)11-28;16-15-20-13(11-5-6-23-14(11)21-15)19-12-7-22(8-18-12)10-3-1-9(17)2-4-10;10-7-1-3-8(4-2-7)13-5-9(11)12-6-13;7-4-3-1-2-11-5(3)10-6(8)9-4;7-4-5-2-1-3-6-5/h3-7,9-10,12,15,28H,1-2,8,11H2,(H,23,24,25);1-8H,(H,19,20,21);1-6H,11H2;1-2H;5-7H,1-4H2/t15-;;;;5-/m0...0/s1
• InChIKey: CJYMLARDACMXME-HIKDPHHVSA-N
• XLogP: 12.46
• TPSA: 236.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1239.67
LogP ≤ 5	12.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-[1-(4-fluorophenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;2,4-dichlorothieno[2,3-d]pyrimidine;1-(4-fluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(4-fluorophenyl)imidazol-4-yl]amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol (CID 167550983) is 2-chloro-N-[1-(4-fluorophenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;2,4-dichlorothieno[2,3-d]pyrimidine;1-(4-fluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(4-fluorophenyl)imidazol-4-yl]amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol.

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

The canonical SMILES for 2-chloro-N-[1-(4-fluorophenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;2,4-dichlorothieno[2,3-d]pyrimidine;1-(4-fluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(4-fluorophenyl)imidazol-4-yl]amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol is Clc1nc(Cl)c2ccsc2n1.Fc1ccc(-n2cnc(Nc3nc(Cl)nc4sccc34)c2)cc1.Nc1cn(-c2ccc(F)cc2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccc(F)cc3)cn2)c2ccsc2n1.

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

The InChIKey is CJYMLARDACMXME-HIKDPHHVSA-N. The full InChI is InChI=1S/C20H19FN6OS.C15H9ClFN5S.C9H8FN3.C6H2Cl2N2S.C5H11NO/c21-13-3-5-14(6-4-13)26-10-17(22-12-26)23-18-16-7-9-29-19(16)25-20(24-18)27-8-1-2-15(27)11-28;16-15-20-13(11-5-6-23-14(11)21-15)19-12-7-22(8-18-12)10-3-1-9(17)2-4-10;10-7-1-3-8(4-2-7)13-5-9(11)12-6-13;7-4-3-1-2-11-5(3)10-6(8)9-4;7-4-5-2-1-3-6-5/h3-7,9-10,12,15,28H,1-2,8,11H2,(H,23,24,25);1-8H,(H,19,20,21);1-6H,11H2;1-2H;5-7H,1-4H2/t15-;;;;5-/m0...0/s1.

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

2-chloro-N-[1-(4-fluorophenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;2,4-dichlorothieno[2,3-d]pyrimidine;1-(4-fluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(4-fluorophenyl)imidazol-4-yl]amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 1239.67 g/mol, XLogP of 12.46, 10 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-(4-fluorophenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;2,4-dichlorothieno[2,3-d]pyrimidine;1-(4-fluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(4-fluorophenyl)imidazol-4-yl]amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167550983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).