N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-[2-[(dimethylamino)methyl]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-(dimethylamino)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;[2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanol

C104H109N27O4S5 — CID 158747919

About N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-[2-[(dimethylamino)methyl]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-(dimethylamino)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;[2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanol

N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-[2-[(dimethylamino)methyl]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-(dimethylamino)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;[2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanol (PubChem CID 158747919) has the molecular formula C104H109N27O4S5 and a molecular weight of 1961.54 g/mol. Its IUPAC name is N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-[2-[(dimethylamino)methyl]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-(dimethylamino)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;[2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanol.

Molecular Properties

• Compound Name: N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-[2-[(dimethylamino)methyl]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-(dimethylamino)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;[2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanol
• PubChem CID: 158747919
• Molecular Formula: C104H109N27O4S5
• Molecular Weight: 1961.54 g/mol
• Exact Mass: 1959.78
• IUPAC Name: N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-[2-[(dimethylamino)methyl]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-(dimethylamino)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;[2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanol
• SMILES: COc1cc(C)ccc1-c1c(C)sc2cnc(Nc3cnn(C4CCCCC4)c3)nc12.Cc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1CN(C)C.Cc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1CO.Cc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1N(C)C.Cc1sc2cnc(Nc3cnn(C4CCOCC4)c3)nc2c1-c1cccc2c1OCC2
• InChI: InChI=1S/C24H27N5OS.C23H23N5O2S.C20H22N6S.C19H20N6S.C18H17N5OS/c1-15-9-10-19(20(11-15)30-3)22-16(2)31-21-13-25-24(28-23(21)22)27-17-12-26-29(14-17)18-7-5-4-6-8-18;1-14-20(18-4-2-3-15-5-10-30-22(15)18)21-19(31-14)12-24-23(27-21)26-16-11-25-28(13-16)17-6-8-29-9-7-17;1-13-18(16-8-6-5-7-14(16)11-25(2)3)19-17(27-13)10-21-20(24-19)23-15-9-22-26(4)12-15;1-12-17(14-7-5-6-8-15(14)24(2)3)18-16(26-12)10-20-19(23-18)22-13-9-21-25(4)11-13;1-11-16(14-6-4-3-5-12(14)10-24)17-15(25-11)8-19-18(22-17)21-13-7-20-23(2)9-13/h9-14,18H,4-8H2,1-3H3,(H,25,27,28);2-4,11-13,17H,5-10H2,1H3,(H,24,26,27);5-10,12H,11H2,1-4H3,(H,21,23,24);5-11H,1-4H3,(H,20,22,23);3-9,24H,10H2,1-2H3,(H,19,21,22)
• InChIKey: INCNAGFFSCBLAA-UHFFFAOYSA-N
• XLogP: 23.37
• TPSA: 332.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 22
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1961.54
LogP ≤ 5	23.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-[2-[(dimethylamino)methyl]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-(dimethylamino)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;[2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanol?

The IUPAC name of N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-[2-[(dimethylamino)methyl]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-(dimethylamino)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;[2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanol (CID 158747919) is N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-[2-[(dimethylamino)methyl]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-(dimethylamino)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;[2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanol.

What is the SMILES notation for N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-[2-[(dimethylamino)methyl]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-(dimethylamino)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;[2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanol?

The canonical SMILES for N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-[2-[(dimethylamino)methyl]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-(dimethylamino)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;[2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanol is COc1cc(C)ccc1-c1c(C)sc2cnc(Nc3cnn(C4CCCCC4)c3)nc12.Cc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1CN(C)C.Cc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1CO.Cc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1N(C)C.Cc1sc2cnc(Nc3cnn(C4CCOCC4)c3)nc2c1-c1cccc2c1OCC2.

What is the InChIKey of N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-[2-[(dimethylamino)methyl]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-(dimethylamino)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;[2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanol?

The InChIKey is INCNAGFFSCBLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS.C23H23N5O2S.C20H22N6S.C19H20N6S.C18H17N5OS/c1-15-9-10-19(20(11-15)30-3)22-16(2)31-21-13-25-24(28-23(21)22)27-17-12-26-29(14-17)18-7-5-4-6-8-18;1-14-20(18-4-2-3-15-5-10-30-22(15)18)21-19(31-14)12-24-23(27-21)26-16-11-25-28(13-16)17-6-8-29-9-7-17;1-13-18(16-8-6-5-7-14(16)11-25(2)3)19-17(27-13)10-21-20(24-19)23-15-9-22-26(4)12-15;1-12-17(14-7-5-6-8-15(14)24(2)3)18-16(26-12)10-20-19(23-18)22-13-9-21-25(4)11-13;1-11-16(14-6-4-3-5-12(14)10-24)17-15(25-11)8-19-18(22-17)21-13-7-20-23(2)9-13/h9-14,18H,4-8H2,1-3H3,(H,25,27,28);2-4,11-13,17H,5-10H2,1H3,(H,24,26,27);5-10,12H,11H2,1-4H3,(H,21,23,24);5-11H,1-4H3,(H,20,22,23);3-9,24H,10H2,1-2H3,(H,19,21,22).

What are the key properties of N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-[2-[(dimethylamino)methyl]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-(dimethylamino)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;[2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanol?

N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-[2-[(dimethylamino)methyl]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-(dimethylamino)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;[2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanol has a molecular weight of 1961.54 g/mol, XLogP of 23.37, 22 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-[2-[(dimethylamino)methyl]phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[2-(dimethylamino)phenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;[2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanol is sourced from PubChem (CID 158747919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).