7-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

C76H93N19O7S3 — CID 160874820

About 7-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

7-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 160874820) has the molecular formula C76H93N19O7S3 and a molecular weight of 1480.91 g/mol. Its IUPAC name is 7-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 7-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
• PubChem CID: 160874820
• Molecular Formula: C76H93N19O7S3
• Molecular Weight: 1480.91 g/mol
• Exact Mass: 1479.67
• IUPAC Name: 7-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
• SMILES: COc1cc(OCCCN2CCCC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.COc1cc(OCCCN2CCN(C)CC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.COc1cc(OCCCN2CCOCC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12
• InChI: InChI=1S/C26H33N7O2S.C25H30N6O3S.C25H30N6O2S/c1-18-24(25-23(36-18)16-27-26(30-25)29-19-15-28-32(3)17-19)21-7-6-20(14-22(21)34-4)35-13-5-8-33-11-9-31(2)10-12-33;1-17-23(24-22(35-17)15-26-25(29-24)28-18-14-27-30(2)16-18)20-6-5-19(13-21(20)32-3)34-10-4-7-31-8-11-33-12-9-31;1-17-23(24-22(34-17)15-26-25(29-24)28-18-14-27-30(2)16-18)20-8-7-19(13-21(20)32-3)33-12-6-11-31-9-4-5-10-31/h6-7,14-17H,5,8-13H2,1-4H3,(H,27,29,30);5-6,13-16H,4,7-12H2,1-3H3,(H,26,28,29);7-8,13-16H,4-6,9-12H2,1-3H3,(H,26,28,29)
• InChIKey: SMGCSFKITMIUGV-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 244.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1480.91
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?

The IUPAC name of 7-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (CID 160874820) is 7-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.

What is the SMILES notation for 7-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?

The canonical SMILES for 7-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is COc1cc(OCCCN2CCCC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.COc1cc(OCCCN2CCN(C)CC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.COc1cc(OCCCN2CCOCC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.

What is the InChIKey of 7-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?

The InChIKey is SMGCSFKITMIUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2S.C25H30N6O3S.C25H30N6O2S/c1-18-24(25-23(36-18)16-27-26(30-25)29-19-15-28-32(3)17-19)21-7-6-20(14-22(21)34-4)35-13-5-8-33-11-9-31(2)10-12-33;1-17-23(24-22(35-17)15-26-25(29-24)28-18-14-27-30(2)16-18)20-6-5-19(13-21(20)32-3)34-10-4-7-31-8-11-33-12-9-31;1-17-23(24-22(34-17)15-26-25(29-24)28-18-14-27-30(2)16-18)20-8-7-19(13-21(20)32-3)33-12-6-11-31-9-4-5-10-31/h6-7,14-17H,5,8-13H2,1-4H3,(H,27,29,30);5-6,13-16H,4,7-12H2,1-3H3,(H,26,28,29);7-8,13-16H,4-6,9-12H2,1-3H3,(H,26,28,29).

What are the key properties of 7-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?

7-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 1480.91 g/mol, XLogP of 13.44, 27 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 160874820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).