1-[5-amino-4-anilino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichloroanilino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-hydroxy-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[2,5-diamino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone

C115H113Cl4N31O13S7 — CID 159702688

About 1-[5-amino-4-anilino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichloroanilino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-hydroxy-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[2,5-diamino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone

1-[5-amino-4-anilino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichloroanilino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-hydroxy-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[2,5-diamino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone (PubChem CID 159702688) has the molecular formula C115H113Cl4N31O13S7 and a molecular weight of 2503.65 g/mol. Its IUPAC name is 1-[5-amino-4-anilino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichloroanilino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-hydroxy-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[2,5-diamino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-amino-4-anilino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichloroanilino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-hydroxy-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[2,5-diamino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
• PubChem CID: 159702688
• Molecular Formula: C115H113Cl4N31O13S7
• Molecular Weight: 2503.65 g/mol
• Exact Mass: 2499.59
• IUPAC Name: 1-[5-amino-4-anilino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichloroanilino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-hydroxy-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[2,5-diamino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)c1sc2nc(NC(C)(C)CO)nc(-c3ccc(C)c(O)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(Nc3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(Nc3ccccc3)c2c1N.CC(=O)c1sc2nc(N[C@@H](CO)C(C)C)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.COc1cncc(-c2nc(C)nc3sc(C(C)=O)c(N)c23)c1.COc1cncc(-c2nc(N)nc3sc(C(C)=O)c(N)c23)c1.COc1cncc(-c2ncnc3sc(C(C)=O)c(N)c23)c1
• InChI: InChI=1S/C19H20Cl2N4O2S.C19H22N4O3S.C17H15Cl2N5OS.C17H17N5OS.C15H14N4O2S.C14H13N5O2S.C14H12N4O2S/c1-8(2)13(7-26)23-19-24-16(10-4-5-11(20)12(21)6-10)14-15(22)17(9(3)27)28-18(14)25-19;1-9-5-6-11(7-12(9)26)15-13-14(20)16(10(2)25)27-17(13)22-18(21-15)23-19(3,4)8-24;1-7(25)14-13(20)12-15(21-9-4-5-10(18)11(19)6-9)23-17(22-8-2-3-8)24-16(12)26-14;1-9(23)14-13(18)12-15(19-10-5-3-2-4-6-10)21-17(20-11-7-8-11)22-16(12)24-14;1-7(20)14-12(16)11-13(18-8(2)19-15(11)22-14)9-4-10(21-3)6-17-5-9;1-6(20)12-10(15)9-11(18-14(16)19-13(9)22-12)7-3-8(21-2)5-17-4-7;1-7(19)13-11(15)10-12(17-6-18-14(10)21-13)8-3-9(20-2)5-16-4-8/h4-6,8,13,26H,7,22H2,1-3H3,(H,23,24,25);5-7,24,26H,8,20H2,1-4H3,(H,21,22,23);4-6,8H,2-3,20H2,1H3,(H2,21,22,23,24);2-6,11H,7-8,18H2,1H3,(H2,19,20,21,22);4-6H,16H2,1-3H3;3-5H,15H2,1-2H3,(H2,16,18,19);3-6H,15H2,1-2H3/t13-;;;;;;/m0....../s1
• InChIKey: MXVCMZUADRPJRT-DTSSWESASA-N
• XLogP: 24.64
• TPSA: 707.34 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 51
• Rotatable Bonds: 30
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2503.65
LogP ≤ 5	24.64
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-4-anilino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichloroanilino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-hydroxy-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[2,5-diamino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?

The IUPAC name of 1-[5-amino-4-anilino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichloroanilino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-hydroxy-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[2,5-diamino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone (CID 159702688) is 1-[5-amino-4-anilino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichloroanilino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-hydroxy-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[2,5-diamino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone.

What is the SMILES notation for 1-[5-amino-4-anilino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichloroanilino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-hydroxy-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[2,5-diamino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?

The canonical SMILES for 1-[5-amino-4-anilino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichloroanilino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-hydroxy-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[2,5-diamino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone is CC(=O)c1sc2nc(NC(C)(C)CO)nc(-c3ccc(C)c(O)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(Nc3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(Nc3ccccc3)c2c1N.CC(=O)c1sc2nc(N[C@@H](CO)C(C)C)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.COc1cncc(-c2nc(C)nc3sc(C(C)=O)c(N)c23)c1.COc1cncc(-c2nc(N)nc3sc(C(C)=O)c(N)c23)c1.COc1cncc(-c2ncnc3sc(C(C)=O)c(N)c23)c1.

What is the InChIKey of 1-[5-amino-4-anilino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichloroanilino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-hydroxy-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[2,5-diamino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?

The InChIKey is MXVCMZUADRPJRT-DTSSWESASA-N. The full InChI is InChI=1S/C19H20Cl2N4O2S.C19H22N4O3S.C17H15Cl2N5OS.C17H17N5OS.C15H14N4O2S.C14H13N5O2S.C14H12N4O2S/c1-8(2)13(7-26)23-19-24-16(10-4-5-11(20)12(21)6-10)14-15(22)17(9(3)27)28-18(14)25-19;1-9-5-6-11(7-12(9)26)15-13-14(20)16(10(2)25)27-17(13)22-18(21-15)23-19(3,4)8-24;1-7(25)14-13(20)12-15(21-9-4-5-10(18)11(19)6-9)23-17(22-8-2-3-8)24-16(12)26-14;1-9(23)14-13(18)12-15(19-10-5-3-2-4-6-10)21-17(20-11-7-8-11)22-16(12)24-14;1-7(20)14-12(16)11-13(18-8(2)19-15(11)22-14)9-4-10(21-3)6-17-5-9;1-6(20)12-10(15)9-11(18-14(16)19-13(9)22-12)7-3-8(21-2)5-17-4-7;1-7(19)13-11(15)10-12(17-6-18-14(10)21-13)8-3-9(20-2)5-16-4-8/h4-6,8,13,26H,7,22H2,1-3H3,(H,23,24,25);5-7,24,26H,8,20H2,1-4H3,(H,21,22,23);4-6,8H,2-3,20H2,1H3,(H2,21,22,23,24);2-6,11H,7-8,18H2,1H3,(H2,19,20,21,22);4-6H,16H2,1-3H3;3-5H,15H2,1-2H3,(H2,16,18,19);3-6H,15H2,1-2H3/t13-;;;;;;/m0....../s1.

What are the key properties of 1-[5-amino-4-anilino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichloroanilino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-hydroxy-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[2,5-diamino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?

1-[5-amino-4-anilino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichloroanilino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-hydroxy-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[2,5-diamino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 2503.65 g/mol, XLogP of 24.64, 30 rotatable bonds, 17 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-amino-4-anilino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichloroanilino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-hydroxy-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[2,5-diamino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 159702688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).