6-[3-[(2-aminophenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;[1-[2-[[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]methyl]phenyl]piperidin-4-yl]methanol;6-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

C77H73N19OS3 — CID 87963943

About 6-[3-[(2-aminophenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;[1-[2-[[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]methyl]phenyl]piperidin-4-yl]methanol;6-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

6-[3-[(2-aminophenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;[1-[2-[[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]methyl]phenyl]piperidin-4-yl]methanol;6-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 87963943) has the molecular formula C77H73N19OS3 and a molecular weight of 1376.76 g/mol. Its IUPAC name is 6-[3-[(2-aminophenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;[1-[2-[[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]methyl]phenyl]piperidin-4-yl]methanol;6-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-[3-[(2-aminophenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;[1-[2-[[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]methyl]phenyl]piperidin-4-yl]methanol;6-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 87963943
• Molecular Formula: C77H73N19OS3
• Molecular Weight: 1376.76 g/mol
• Exact Mass: 1375.54
• IUPAC Name: 6-[3-[(2-aminophenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;[1-[2-[[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]methyl]phenyl]piperidin-4-yl]methanol;6-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
• SMILES: CN1CCN(c2ccccc2Cn2cnc(-c3ccccc3)c2-c2cc3c(N)ncnc3s2)CC1.Nc1ccccc1Cn1cnc(-c2ccccc2)c1-c1cc2c(N)ncnc2s1.Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3Cc3ccccc3N3CCC(CO)CC3)cc12
• InChI: InChI=1S/C28H28N6OS.C27H27N7S.C22H18N6S/c29-27-22-14-24(36-28(22)31-17-30-27)26-25(20-6-2-1-3-7-20)32-18-34(26)15-21-8-4-5-9-23(21)33-12-10-19(16-35)11-13-33;1-32-11-13-33(14-12-32)22-10-6-5-9-20(22)16-34-18-31-24(19-7-3-2-4-8-19)25(34)23-15-21-26(28)29-17-30-27(21)35-23;23-17-9-5-4-8-15(17)11-28-13-27-19(14-6-2-1-3-7-14)20(28)18-10-16-21(24)25-12-26-22(16)29-18/h1-9,14,17-19,35H,10-13,15-16H2,(H2,29,30,31);2-10,15,17-18H,11-14,16H2,1H3,(H2,28,29,30);1-10,12-13H,11,23H2,(H2,24,25,26)
• InChIKey: OZMFXZMFKQSBQP-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 264.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1376.76
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2-aminophenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;[1-[2-[[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]methyl]phenyl]piperidin-4-yl]methanol;6-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of 6-[3-[(2-aminophenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;[1-[2-[[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]methyl]phenyl]piperidin-4-yl]methanol;6-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine (CID 87963943) is 6-[3-[(2-aminophenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;[1-[2-[[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]methyl]phenyl]piperidin-4-yl]methanol;6-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 6-[3-[(2-aminophenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;[1-[2-[[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]methyl]phenyl]piperidin-4-yl]methanol;6-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 6-[3-[(2-aminophenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;[1-[2-[[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]methyl]phenyl]piperidin-4-yl]methanol;6-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine is CN1CCN(c2ccccc2Cn2cnc(-c3ccccc3)c2-c2cc3c(N)ncnc3s2)CC1.Nc1ccccc1Cn1cnc(-c2ccccc2)c1-c1cc2c(N)ncnc2s1.Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3Cc3ccccc3N3CCC(CO)CC3)cc12.

What is the InChIKey of 6-[3-[(2-aminophenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;[1-[2-[[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]methyl]phenyl]piperidin-4-yl]methanol;6-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is OZMFXZMFKQSBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6OS.C27H27N7S.C22H18N6S/c29-27-22-14-24(36-28(22)31-17-30-27)26-25(20-6-2-1-3-7-20)32-18-34(26)15-21-8-4-5-9-23(21)33-12-10-19(16-35)11-13-33;1-32-11-13-33(14-12-32)22-10-6-5-9-20(22)16-34-18-31-24(19-7-3-2-4-8-19)25(34)23-15-21-26(28)29-17-30-27(21)35-23;23-17-9-5-4-8-15(17)11-28-13-27-19(14-6-2-1-3-7-14)20(28)18-10-16-21(24)25-12-26-22(16)29-18/h1-9,14,17-19,35H,10-13,15-16H2,(H2,29,30,31);2-10,15,17-18H,11-14,16H2,1H3,(H2,28,29,30);1-10,12-13H,11,23H2,(H2,24,25,26).

What are the key properties of 6-[3-[(2-aminophenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;[1-[2-[[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]methyl]phenyl]piperidin-4-yl]methanol;6-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?

6-[3-[(2-aminophenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;[1-[2-[[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]methyl]phenyl]piperidin-4-yl]methanol;6-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 1376.76 g/mol, XLogP of 14.10, 15 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[(2-aminophenyl)methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;[1-[2-[[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]methyl]phenyl]piperidin-4-yl]methanol;6-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 87963943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).