1-[3-[[[2-[(1-methylimidazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(2-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-(1H-pyrazol-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one

C101H112N42O6S6 — CID 160605060

About 1-[3-[[[2-[(1-methylimidazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(2-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-(1H-pyrazol-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one

1-[3-[[[2-[(1-methylimidazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(2-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-(1H-pyrazol-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one (PubChem CID 160605060) has the molecular formula C101H112N42O6S6 and a molecular weight of 2202.70 g/mol. Its IUPAC name is 1-[3-[[[2-[(1-methylimidazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(2-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-(1H-pyrazol-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[3-[[[2-[(1-methylimidazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(2-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-(1H-pyrazol-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one
• PubChem CID: 160605060
• Molecular Formula: C101H112N42O6S6
• Molecular Weight: 2202.70 g/mol
• Exact Mass: 2200.81
• IUPAC Name: 1-[3-[[[2-[(1-methylimidazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(2-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-(1H-pyrazol-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CC(CNc2nc(Nc3cc(C)[nH]n3)nc3ccsc23)C1.C=CC(=O)N1CC(CNc2nc(Nc3ccn(C)n3)nc3ccsc23)C1.C=CC(=O)N1CC(CNc2nc(Nc3ccnn3C)nc3ccsc23)C1.C=CC(=O)N1CC(CNc2nc(Nc3cn(C)cn3)nc3ccsc23)C1.C=CC(=O)N1CC(CNc2nc(Nc3cn[nH]c3)nc3ccsc23)C1.C=CC(=O)N1CC(CNc2nc(Nc3cnn(C)c3)nc3ccsc23)C1
• InChI: InChI=1S/5C17H19N7OS.C16H17N7OS/c1-3-14(25)24-9-11(10-24)8-18-16-15-12(5-7-26-15)19-17(21-16)20-13-4-6-23(2)22-13;1-3-14(25)24-9-11(10-24)8-18-16-15-12(5-7-26-15)20-17(22-16)21-13-4-6-19-23(13)2;1-3-14(25)24-8-11(9-24)6-18-16-15-13(4-5-26-15)21-17(22-16)20-12-7-19-23(2)10-12;1-3-14(25)24-7-11(8-24)6-18-16-15-12(4-5-26-15)20-17(22-16)21-13-9-23(2)10-19-13;1-3-14(25)24-8-11(9-24)7-18-16-15-12(4-5-26-15)19-17(21-16)20-13-6-10(2)22-23-13;1-2-13(24)23-8-10(9-23)5-17-15-14-12(3-4-25-14)21-16(22-15)20-11-6-18-19-7-11/h3-7,11H,1,8-10H2,2H3,(H2,18,19,20,21,22);3-7,11H,1,8-10H2,2H3,(H2,18,20,21,22);3-5,7,10-11H,1,6,8-9H2,2H3,(H2,18,20,21,22);3-5,9-11H,1,6-8H2,2H3,(H2,18,20,21,22);3-6,11H,1,7-9H2,2H3,(H3,18,19,20,21,22,23);2-4,6-7,10H,1,5,8-9H2,(H,18,19)(H2,17,20,21,22)
• InChIKey: RETNZYGYGDRNNT-UHFFFAOYSA-N
• XLogP: 13.64
• TPSA: 549.54 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 46
• Rotatable Bonds: 36
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2202.70
LogP ≤ 5	13.64
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[2-[(1-methylimidazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(2-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-(1H-pyrazol-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[3-[[[2-[(1-methylimidazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(2-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-(1H-pyrazol-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one (CID 160605060) is 1-[3-[[[2-[(1-methylimidazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(2-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-(1H-pyrazol-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[3-[[[2-[(1-methylimidazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(2-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-(1H-pyrazol-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[3-[[[2-[(1-methylimidazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(2-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-(1H-pyrazol-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CC(CNc2nc(Nc3cc(C)[nH]n3)nc3ccsc23)C1.C=CC(=O)N1CC(CNc2nc(Nc3ccn(C)n3)nc3ccsc23)C1.C=CC(=O)N1CC(CNc2nc(Nc3ccnn3C)nc3ccsc23)C1.C=CC(=O)N1CC(CNc2nc(Nc3cn(C)cn3)nc3ccsc23)C1.C=CC(=O)N1CC(CNc2nc(Nc3cn[nH]c3)nc3ccsc23)C1.C=CC(=O)N1CC(CNc2nc(Nc3cnn(C)c3)nc3ccsc23)C1.

What is the InChIKey of 1-[3-[[[2-[(1-methylimidazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(2-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-(1H-pyrazol-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one?

The InChIKey is RETNZYGYGDRNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/5C17H19N7OS.C16H17N7OS/c1-3-14(25)24-9-11(10-24)8-18-16-15-12(5-7-26-15)19-17(21-16)20-13-4-6-23(2)22-13;1-3-14(25)24-9-11(10-24)8-18-16-15-12(5-7-26-15)20-17(22-16)21-13-4-6-19-23(13)2;1-3-14(25)24-8-11(9-24)6-18-16-15-13(4-5-26-15)21-17(22-16)20-12-7-19-23(2)10-12;1-3-14(25)24-7-11(8-24)6-18-16-15-12(4-5-26-15)20-17(22-16)21-13-9-23(2)10-19-13;1-3-14(25)24-8-11(9-24)7-18-16-15-12(4-5-26-15)19-17(21-16)20-13-6-10(2)22-23-13;1-2-13(24)23-8-10(9-23)5-17-15-14-12(3-4-25-14)21-16(22-15)20-11-6-18-19-7-11/h3-7,11H,1,8-10H2,2H3,(H2,18,19,20,21,22);3-7,11H,1,8-10H2,2H3,(H2,18,20,21,22);3-5,7,10-11H,1,6,8-9H2,2H3,(H2,18,20,21,22);3-5,9-11H,1,6-8H2,2H3,(H2,18,20,21,22);3-6,11H,1,7-9H2,2H3,(H3,18,19,20,21,22,23);2-4,6-7,10H,1,5,8-9H2,(H,18,19)(H2,17,20,21,22).

What are the key properties of 1-[3-[[[2-[(1-methylimidazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(2-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-(1H-pyrazol-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one?

1-[3-[[[2-[(1-methylimidazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(2-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-(1H-pyrazol-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one has a molecular weight of 2202.70 g/mol, XLogP of 13.64, 36 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[[2-[(1-methylimidazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(2-methylpyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-(1H-pyrazol-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 160605060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).