7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-(2,4-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[1-[[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-yl]propan-2-ol;7-(2-methoxy-5-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

C105H112F2N26O12S7 — CID 157317448

About 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-(2,4-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[1-[[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-yl]propan-2-ol;7-(2-methoxy-5-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-(2,4-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[1-[[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-yl]propan-2-ol;7-(2-methoxy-5-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 157317448) has the molecular formula C105H112F2N26O12S7 and a molecular weight of 2192.69 g/mol. Its IUPAC name is 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-(2,4-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[1-[[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-yl]propan-2-ol;7-(2-methoxy-5-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-(2,4-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[1-[[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-yl]propan-2-ol;7-(2-methoxy-5-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
• PubChem CID: 157317448
• Molecular Formula: C105H112F2N26O12S7
• Molecular Weight: 2192.69 g/mol
• Exact Mass: 2190.70
• IUPAC Name: 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-(2,4-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[1-[[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-yl]propan-2-ol;7-(2-methoxy-5-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
• SMILES: COc1cc(CN2CCC(C(C)(C)O)CC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.COc1cc(OCCCS(C)(=O)=O)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.COc1ccc(-c2c(C)sc3cnc(Nc4cnn(C)c4)nc23)c(OC)c1.COc1ccc(S(C)(=O)=O)cc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.Cc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1OC(F)F
• InChI: InChI=1S/C27H34N6O2S.C22H25N5O4S2.C19H19N5O3S2.C19H19N5O2S.C18H15F2N5OS/c1-17-24(25-23(36-17)14-28-26(31-25)30-20-13-29-32(4)16-20)21-7-6-18(12-22(21)35-5)15-33-10-8-19(9-11-33)27(2,3)34;1-14-20(17-7-6-16(10-18(17)30-3)31-8-5-9-33(4,28)29)21-19(32-14)12-23-22(26-21)25-15-11-24-27(2)13-15;1-11-17(14-7-13(29(4,25)26)5-6-15(14)27-3)18-16(28-11)9-20-19(23-18)22-12-8-21-24(2)10-12;1-11-17(14-6-5-13(25-3)7-15(14)26-4)18-16(27-11)9-20-19(23-18)22-12-8-21-24(2)10-12;1-10-15(12-5-3-4-6-13(12)26-17(19)20)16-14(27-10)8-21-18(24-16)23-11-7-22-25(2)9-11/h6-7,12-14,16,19,34H,8-11,15H2,1-5H3,(H,28,30,31);6-7,10-13H,5,8-9H2,1-4H3,(H,23,25,26);5-10H,1-4H3,(H,20,22,23);5-10H,1-4H3,(H,20,22,23);3-9,17H,1-2H3,(H,21,23,24)
• InChIKey: BDTSFKHPUHRFCB-UHFFFAOYSA-N
• XLogP: 21.56
• TPSA: 434.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 31
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2192.69
LogP ≤ 5	21.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-(2,4-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[1-[[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-yl]propan-2-ol;7-(2-methoxy-5-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?

The IUPAC name of 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-(2,4-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[1-[[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-yl]propan-2-ol;7-(2-methoxy-5-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (CID 157317448) is 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-(2,4-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[1-[[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-yl]propan-2-ol;7-(2-methoxy-5-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.

What is the SMILES notation for 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-(2,4-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[1-[[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-yl]propan-2-ol;7-(2-methoxy-5-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?

The canonical SMILES for 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-(2,4-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[1-[[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-yl]propan-2-ol;7-(2-methoxy-5-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is COc1cc(CN2CCC(C(C)(C)O)CC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.COc1cc(OCCCS(C)(=O)=O)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.COc1ccc(-c2c(C)sc3cnc(Nc4cnn(C)c4)nc23)c(OC)c1.COc1ccc(S(C)(=O)=O)cc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.Cc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1OC(F)F.

What is the InChIKey of 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-(2,4-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[1-[[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-yl]propan-2-ol;7-(2-methoxy-5-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?

The InChIKey is BDTSFKHPUHRFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2S.C22H25N5O4S2.C19H19N5O3S2.C19H19N5O2S.C18H15F2N5OS/c1-17-24(25-23(36-17)14-28-26(31-25)30-20-13-29-32(4)16-20)21-7-6-18(12-22(21)35-5)15-33-10-8-19(9-11-33)27(2,3)34;1-14-20(17-7-6-16(10-18(17)30-3)31-8-5-9-33(4,28)29)21-19(32-14)12-23-22(26-21)25-15-11-24-27(2)13-15;1-11-17(14-7-13(29(4,25)26)5-6-15(14)27-3)18-16(28-11)9-20-19(23-18)22-12-8-21-24(2)10-12;1-11-17(14-6-5-13(25-3)7-15(14)26-4)18-16(27-11)9-20-19(23-18)22-12-8-21-24(2)10-12;1-10-15(12-5-3-4-6-13(12)26-17(19)20)16-14(27-10)8-21-18(24-16)23-11-7-22-25(2)9-11/h6-7,12-14,16,19,34H,8-11,15H2,1-5H3,(H,28,30,31);6-7,10-13H,5,8-9H2,1-4H3,(H,23,25,26);5-10H,1-4H3,(H,20,22,23);5-10H,1-4H3,(H,20,22,23);3-9,17H,1-2H3,(H,21,23,24).

What are the key properties of 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-(2,4-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[1-[[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-yl]propan-2-ol;7-(2-methoxy-5-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?

7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-(2,4-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[1-[[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-yl]propan-2-ol;7-(2-methoxy-5-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 2192.69 g/mol, XLogP of 21.56, 31 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(difluoromethoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-(2,4-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[1-[[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-yl]propan-2-ol;7-(2-methoxy-5-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 157317448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).