1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxybutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2R)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane

C88H95Cl2F4N19O13S7 — CID 161145173

About 1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxybutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2R)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane

1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxybutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2R)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane (PubChem CID 161145173) has the molecular formula C88H95Cl2F4N19O13S7 and a molecular weight of 1998.21 g/mol. Its IUPAC name is 1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxybutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2R)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane.

Molecular Properties

• Compound Name: 1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxybutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2R)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane
• PubChem CID: 161145173
• Molecular Formula: C88H95Cl2F4N19O13S7
• Molecular Weight: 1998.21 g/mol
• Exact Mass: 1995.47
• IUPAC Name: 1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxybutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2R)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane
• SMILES: C.CC(=O)c1sc2nc(C(C)C)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC(C)(C)CO)nc(-c3cccc(O)c3F)c2c1N.CC(=O)c1sc2nc(N[C@@H](C)CO)nc(-c3cccc(O)c3F)c2c1N.CC(=O)c1sc2nc(N[C@H](C)CO)nc(-c3cccc(O)c3F)c2c1N.CC[C@@H](CO)Nc1nc(-c2cccc(O)c2F)c2c(N)c(C(C)=O)sc2n1.S.S
• InChI: InChI=1S/2C18H19FN4O3S.C17H15Cl2N3OS.2C17H17FN4O3S.CH4.2H2S/c1-8(25)15-13(20)11-14(9-5-4-6-10(26)12(9)19)21-17(22-16(11)27-15)23-18(2,3)7-24;1-3-9(7-24)21-18-22-15(10-5-4-6-11(26)13(10)19)12-14(20)16(8(2)25)27-17(12)23-18;1-7(2)16-21-14(9-4-5-10(18)11(19)6-9)12-13(20)15(8(3)23)24-17(12)22-16;2*1-7(6-23)20-17-21-14(9-4-3-5-10(25)12(9)18)11-13(19)15(8(2)24)26-16(11)22-17;;;/h4-6,24,26H,7,20H2,1-3H3,(H,21,22,23);4-6,9,24,26H,3,7,20H2,1-2H3,(H,21,22,23);4-7H,20H2,1-3H3;2*3-5,7,23,25H,6,19H2,1-2H3,(H,20,21,22);1H4;2*1H2/t;9-;;2*7-;;;/m.0.10.../s1
• InChIKey: UNYJHTIEKROYKI-IYMQVYRWSA-N
• XLogP: 18.34
• TPSA: 554.31 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1998.21
LogP ≤ 5	18.34
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxybutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2R)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane?

The IUPAC name of 1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxybutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2R)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane (CID 161145173) is 1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxybutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2R)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane.

What is the SMILES notation for 1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxybutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2R)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane?

The canonical SMILES for 1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxybutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2R)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane is C.CC(=O)c1sc2nc(C(C)C)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC(C)(C)CO)nc(-c3cccc(O)c3F)c2c1N.CC(=O)c1sc2nc(N[C@@H](C)CO)nc(-c3cccc(O)c3F)c2c1N.CC(=O)c1sc2nc(N[C@H](C)CO)nc(-c3cccc(O)c3F)c2c1N.CC[C@@H](CO)Nc1nc(-c2cccc(O)c2F)c2c(N)c(C(C)=O)sc2n1.S.S.

What is the InChIKey of 1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxybutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2R)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane?

The InChIKey is UNYJHTIEKROYKI-IYMQVYRWSA-N. The full InChI is InChI=1S/2C18H19FN4O3S.C17H15Cl2N3OS.2C17H17FN4O3S.CH4.2H2S/c1-8(25)15-13(20)11-14(9-5-4-6-10(26)12(9)19)21-17(22-16(11)27-15)23-18(2,3)7-24;1-3-9(7-24)21-18-22-15(10-5-4-6-11(26)13(10)19)12-14(20)16(8(2)25)27-17(12)23-18;1-7(2)16-21-14(9-4-5-10(18)11(19)6-9)12-13(20)15(8(3)23)24-17(12)22-16;2*1-7(6-23)20-17-21-14(9-4-3-5-10(25)12(9)18)11-13(19)15(8(2)24)26-16(11)22-17;;;/h4-6,24,26H,7,20H2,1-3H3,(H,21,22,23);4-6,9,24,26H,3,7,20H2,1-2H3,(H,21,22,23);4-7H,20H2,1-3H3;2*3-5,7,23,25H,6,19H2,1-2H3,(H,20,21,22);1H4;2*1H2/t;9-;;2*7-;;;/m.0.10.../s1.

What are the key properties of 1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxybutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2R)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane?

1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxybutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2R)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane has a molecular weight of 1998.21 g/mol, XLogP of 18.34, 24 rotatable bonds, 17 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxybutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2R)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane is sourced from PubChem (CID 161145173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).