1-[5-amino-4-(5-ethyl-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-hydroxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(4-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane

C113H132N30O17S7 — CID 158157411

About 1-[5-amino-4-(5-ethyl-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-hydroxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(4-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane

1-[5-amino-4-(5-ethyl-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-hydroxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(4-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane (PubChem CID 158157411) has the molecular formula C113H132N30O17S7 and a molecular weight of 2406.96 g/mol. Its IUPAC name is 1-[5-amino-4-(5-ethyl-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-hydroxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(4-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane.

Molecular Properties

• Compound Name: 1-[5-amino-4-(5-ethyl-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-hydroxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(4-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane
• PubChem CID: 158157411
• Molecular Formula: C113H132N30O17S7
• Molecular Weight: 2406.96 g/mol
• Exact Mass: 2404.84
• IUPAC Name: 1-[5-amino-4-(5-ethyl-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-hydroxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(4-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane
• SMILES: C.CC(=O)c1sc2nc(NC(C)(C)CO)nc(-c3cncc(O)c3)c2c1N.CC(=O)c1sc2nc(NC(C)(C)CO)nc(-c3cncc(OCc4ccccc4)c3)c2c1N.CCc1cncc(-c2nc(NC(C)(C)CO)nc3sc(C(C)=O)c(N)c23)c1.COc1ccnc(-c2nc(NC(C)(C)CO)nc3sc(C(C)=O)c(N)c23)c1.COc1cncc(-c2nc(N[C@@H](C)CO)nc3sc(C(C)=O)c(N)c23)c1.COc1cncc(-c2nc(N[C@H](C)CO)nc3sc(C(C)=O)c(N)c23)c1.S
• InChI: InChI=1S/C24H25N5O3S.C19H23N5O2S.C18H21N5O3S.3C17H19N5O3S.CH4.H2S/c1-14(31)21-19(25)18-20(27-23(28-22(18)33-21)29-24(2,3)13-30)16-9-17(11-26-10-16)32-12-15-7-5-4-6-8-15;1-5-11-6-12(8-21-7-11)15-13-14(20)16(10(2)26)27-17(13)23-18(22-15)24-19(3,4)9-25;1-9(25)15-13(19)12-14(11-7-10(26-4)5-6-20-11)21-17(22-16(12)27-15)23-18(2,3)8-24;1-8(24)14-12(18)11-13(9-4-10(25)6-19-5-9)20-16(21-15(11)26-14)22-17(2,3)7-23;2*1-8(7-23)20-17-21-14(10-4-11(25-3)6-19-5-10)12-13(18)15(9(2)24)26-16(12)22-17;;/h4-11,30H,12-13,25H2,1-3H3,(H,27,28,29);6-8,25H,5,9,20H2,1-4H3,(H,22,23,24);5-7,24H,8,19H2,1-4H3,(H,21,22,23);4-6,23,25H,7,18H2,1-3H3,(H,20,21,22);2*4-6,8,23H,7,18H2,1-3H3,(H,20,21,22);1H4;1H2/t;;;;2*8-;;/m....10../s1
• InChIKey: FVVZPAXPILWUEK-FEJDMPQRSA-N
• XLogP: 18.17
• TPSA: 741.27 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 53
• Rotatable Bonds: 37
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2406.96
LogP ≤ 5	18.17
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	53

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-4-(5-ethyl-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-hydroxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(4-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane?

The IUPAC name of 1-[5-amino-4-(5-ethyl-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-hydroxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(4-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane (CID 158157411) is 1-[5-amino-4-(5-ethyl-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-hydroxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(4-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane.

What is the SMILES notation for 1-[5-amino-4-(5-ethyl-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-hydroxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(4-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane?

The canonical SMILES for 1-[5-amino-4-(5-ethyl-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-hydroxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(4-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane is C.CC(=O)c1sc2nc(NC(C)(C)CO)nc(-c3cncc(O)c3)c2c1N.CC(=O)c1sc2nc(NC(C)(C)CO)nc(-c3cncc(OCc4ccccc4)c3)c2c1N.CCc1cncc(-c2nc(NC(C)(C)CO)nc3sc(C(C)=O)c(N)c23)c1.COc1ccnc(-c2nc(NC(C)(C)CO)nc3sc(C(C)=O)c(N)c23)c1.COc1cncc(-c2nc(N[C@@H](C)CO)nc3sc(C(C)=O)c(N)c23)c1.COc1cncc(-c2nc(N[C@H](C)CO)nc3sc(C(C)=O)c(N)c23)c1.S.

What is the InChIKey of 1-[5-amino-4-(5-ethyl-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-hydroxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(4-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane?

The InChIKey is FVVZPAXPILWUEK-FEJDMPQRSA-N. The full InChI is InChI=1S/C24H25N5O3S.C19H23N5O2S.C18H21N5O3S.3C17H19N5O3S.CH4.H2S/c1-14(31)21-19(25)18-20(27-23(28-22(18)33-21)29-24(2,3)13-30)16-9-17(11-26-10-16)32-12-15-7-5-4-6-8-15;1-5-11-6-12(8-21-7-11)15-13-14(20)16(10(2)26)27-17(13)23-18(22-15)24-19(3,4)9-25;1-9(25)15-13(19)12-14(11-7-10(26-4)5-6-20-11)21-17(22-16(12)27-15)23-18(2,3)8-24;1-8(24)14-12(18)11-13(9-4-10(25)6-19-5-9)20-16(21-15(11)26-14)22-17(2,3)7-23;2*1-8(7-23)20-17-21-14(10-4-11(25-3)6-19-5-10)12-13(18)15(9(2)24)26-16(12)22-17;;/h4-11,30H,12-13,25H2,1-3H3,(H,27,28,29);6-8,25H,5,9,20H2,1-4H3,(H,22,23,24);5-7,24H,8,19H2,1-4H3,(H,21,22,23);4-6,23,25H,7,18H2,1-3H3,(H,20,21,22);2*4-6,8,23H,7,18H2,1-3H3,(H,20,21,22);1H4;1H2/t;;;;2*8-;;/m....10../s1.

What are the key properties of 1-[5-amino-4-(5-ethyl-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-hydroxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(4-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane?

1-[5-amino-4-(5-ethyl-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-hydroxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(4-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane has a molecular weight of 2406.96 g/mol, XLogP of 18.17, 37 rotatable bonds, 19 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-amino-4-(5-ethyl-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-hydroxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(4-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;methane;sulfane is sourced from PubChem (CID 158157411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).