1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-methoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;sulfane

C125H120Cl4F4N28O15S7 — CID 161313891

About 1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-methoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;sulfane

1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-methoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;sulfane (PubChem CID 161313891) has the molecular formula C125H120Cl4F4N28O15S7 and a molecular weight of 2696.79 g/mol. Its IUPAC name is 1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-methoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;sulfane.

Molecular Properties

• Compound Name: 1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-methoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;sulfane
• PubChem CID: 161313891
• Molecular Formula: C125H120Cl4F4N28O15S7
• Molecular Weight: 2696.79 g/mol
• Exact Mass: 2692.62
• IUPAC Name: 1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-methoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;sulfane
• SMILES: CC(=O)c1sc2nc(NC(C)(C)CO)nc(-c3cc(O)c(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(C)cc3)c2c1N.CC(=O)c1sc2ncnc(-c3cc4c(c(OCc5ccccc5)c3)CCO4)c2c1N.CC(F)(F)c1ccc(NC(=O)Nc2cccc(-c3ncnc4sc(C(N)=O)c(N)c34)c2)cc1.COc1cc(-c2nc(NC(C)(C)CO)nc3sc(C(C)=O)c(N)c23)cc(Cl)c1Cl.C[C@@H](CO)Nc1nc(-c2cccc(NC(=O)Nc3ccc(C(C)(F)F)cc3)c2)c2c(N)c(C(N)=O)sc2n1.S
• InChI: InChI=1S/C25H25F2N7O3S.C23H19N3O3S.C22H18F2N6O2S.C19H20Cl2N4O3S.C18H18Cl2N4O3S.C18H18N4OS.H2S/c1-12(11-35)30-23-33-19(17-18(28)20(21(29)36)38-22(17)34-23)13-4-3-5-16(10-13)32-24(37)31-15-8-6-14(7-9-15)25(2,26)27;1-13(27)22-20(24)19-21(25-12-26-23(19)30-22)15-9-17-16(7-8-28-17)18(10-15)29-11-14-5-3-2-4-6-14;1-22(23,24)12-5-7-13(8-6-12)29-21(32)30-14-4-2-3-11(9-14)17-15-16(25)18(19(26)31)33-20(15)28-10-27-17;1-8(27)16-14(22)12-15(9-5-10(20)13(21)11(6-9)28-4)23-18(24-17(12)29-16)25-19(2,3)7-26;1-7(26)15-13(21)11-14(8-4-9(19)12(20)10(27)5-8)22-17(23-16(11)28-15)24-18(2,3)6-25;1-9-3-5-11(6-4-9)15-13-14(19)16(10(2)23)24-17(13)22-18(21-15)20-12-7-8-12;/h3-10,12,35H,11,28H2,1-2H3,(H2,29,36)(H,30,33,34)(H2,31,32,37);2-6,9-10,12H,7-8,11,24H2,1H3;2-10H,25H2,1H3,(H2,26,31)(H2,29,30,32);5-6,26H,7,22H2,1-4H3,(H,23,24,25);4-5,25,27H,6,21H2,1-3H3,(H,22,23,24);3-6,12H,7-8,19H2,1-2H3,(H,20,21,22);1H2/t12-;;;;;;/m0....../s1
• InChIKey: VJGATKRNUZMIGW-QWPJCUCISA-N
• XLogP: 27.16
• TPSA: 704.25 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 43
• Rotatable Bonds: 33
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2696.79
LogP ≤ 5	27.16
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-methoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;sulfane?

The IUPAC name of 1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-methoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;sulfane (CID 161313891) is 1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-methoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;sulfane.

What is the SMILES notation for 1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-methoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;sulfane?

The canonical SMILES for 1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-methoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;sulfane is CC(=O)c1sc2nc(NC(C)(C)CO)nc(-c3cc(O)c(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(C)cc3)c2c1N.CC(=O)c1sc2ncnc(-c3cc4c(c(OCc5ccccc5)c3)CCO4)c2c1N.CC(F)(F)c1ccc(NC(=O)Nc2cccc(-c3ncnc4sc(C(N)=O)c(N)c34)c2)cc1.COc1cc(-c2nc(NC(C)(C)CO)nc3sc(C(C)=O)c(N)c23)cc(Cl)c1Cl.C[C@@H](CO)Nc1nc(-c2cccc(NC(=O)Nc3ccc(C(C)(F)F)cc3)c2)c2c(N)c(C(N)=O)sc2n1.S.

What is the InChIKey of 1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-methoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;sulfane?

The InChIKey is VJGATKRNUZMIGW-QWPJCUCISA-N. The full InChI is InChI=1S/C25H25F2N7O3S.C23H19N3O3S.C22H18F2N6O2S.C19H20Cl2N4O3S.C18H18Cl2N4O3S.C18H18N4OS.H2S/c1-12(11-35)30-23-33-19(17-18(28)20(21(29)36)38-22(17)34-23)13-4-3-5-16(10-13)32-24(37)31-15-8-6-14(7-9-15)25(2,26)27;1-13(27)22-20(24)19-21(25-12-26-23(19)30-22)15-9-17-16(7-8-28-17)18(10-15)29-11-14-5-3-2-4-6-14;1-22(23,24)12-5-7-13(8-6-12)29-21(32)30-14-4-2-3-11(9-14)17-15-16(25)18(19(26)31)33-20(15)28-10-27-17;1-8(27)16-14(22)12-15(9-5-10(20)13(21)11(6-9)28-4)23-18(24-17(12)29-16)25-19(2,3)7-26;1-7(26)15-13(21)11-14(8-4-9(19)12(20)10(27)5-8)22-17(23-16(11)28-15)24-18(2,3)6-25;1-9-3-5-11(6-4-9)15-13-14(19)16(10(2)23)24-17(13)22-18(21-15)20-12-7-8-12;/h3-10,12,35H,11,28H2,1-2H3,(H2,29,36)(H,30,33,34)(H2,31,32,37);2-6,9-10,12H,7-8,11,24H2,1H3;2-10H,25H2,1H3,(H2,26,31)(H2,29,30,32);5-6,26H,7,22H2,1-4H3,(H,23,24,25);4-5,25,27H,6,21H2,1-3H3,(H,22,23,24);3-6,12H,7-8,19H2,1-2H3,(H,20,21,22);1H2/t12-;;;;;;/m0....../s1.

What are the key properties of 1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-methoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;sulfane?

1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-methoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;sulfane has a molecular weight of 2696.79 g/mol, XLogP of 27.16, 33 rotatable bonds, 20 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichloro-5-methoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;sulfane is sourced from PubChem (CID 161313891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).