(2S)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyrimidin-2-amine;tert-butyl 4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;ethane;(2S)-2-hydroxypropanoic acid;4-methyl-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;oxolan-2-ol

C92H125BrN30O13S4 — CID 159437581

About (2S)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyrimidin-2-amine;tert-butyl 4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;ethane;(2S)-2-hydroxypropanoic acid;4-methyl-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;oxolan-2-ol

(2S)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyrimidin-2-amine;tert-butyl 4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;ethane;(2S)-2-hydroxypropanoic acid;4-methyl-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;oxolan-2-ol (PubChem CID 159437581) has the molecular formula C92H125BrN30O13S4 and a molecular weight of 2067.38 g/mol. Its IUPAC name is (2S)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyrimidin-2-amine;tert-butyl 4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;ethane;(2S)-2-hydroxypropanoic acid;4-methyl-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;oxolan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyrimidin-2-amine;tert-butyl 4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;ethane;(2S)-2-hydroxypropanoic acid;4-methyl-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;oxolan-2-ol
• PubChem CID: 159437581
• Molecular Formula: C92H125BrN30O13S4
• Molecular Weight: 2067.38 g/mol
• Exact Mass: 2064.81
• IUPAC Name: (2S)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyrimidin-2-amine;tert-butyl 4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;ethane;(2S)-2-hydroxypropanoic acid;4-methyl-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;oxolan-2-ol
• SMILES: CC.C[C@H](O)C(=O)O.Cc1nc(N)ncc1-c1nc(N2CCOCC2)nc2c(Br)csc12.Cc1nc(N)ncc1-c1nc(N2CCOCC2)nc2c(CN3CCN(C(=O)OC(C)(C)C)CC3)csc12.Cc1nc(N)ncc1-c1nc(N2CCOCC2)nc2c(CN3CCN(C(=O)[C@H](C)O)CC3)csc12.Cc1nc(N)ncc1-c1nc(N2CCOCC2)nc2c(CN3CCNCC3)csc12.OC1CCCO1
• InChI: InChI=1S/C25H34N8O3S.C23H30N8O3S.C20H26N8OS.C15H15BrN6OS.C4H8O2.C3H6O3.C2H6/c1-16-18(13-27-22(26)28-16)20-21-19(29-23(30-20)32-9-11-35-12-10-32)17(15-37-21)14-31-5-7-33(8-6-31)24(34)36-25(2,3)4;1-14-17(11-25-22(24)26-14)19-20-18(27-23(28-19)31-7-9-34-10-8-31)16(13-35-20)12-29-3-5-30(6-4-29)21(33)15(2)32;1-13-15(10-23-19(21)24-13)17-18-16(25-20(26-17)28-6-8-29-9-7-28)14(12-30-18)11-27-4-2-22-3-5-27;1-8-9(6-18-14(17)19-8)11-13-12(10(16)7-24-13)21-15(20-11)22-2-4-23-5-3-22;5-4-2-1-3-6-4;1-2(4)3(5)6;1-2/h13,15H,5-12,14H2,1-4H3,(H2,26,27,28);11,13,15,32H,3-10,12H2,1-2H3,(H2,24,25,26);10,12,22H,2-9,11H2,1H3,(H2,21,23,24);6-7H,2-5H2,1H3,(H2,17,18,19);4-5H,1-3H2;2,4H,1H3,(H,5,6);1-2H3/t;15-;;;;2-;/m.0...0./s1
• InChIKey: LRTQBPHRNGCANT-IMZMZXBKSA-N
• XLogP: 8.34
• TPSA: 539.02 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 44
• Rotatable Bonds: 16
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2067.38
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyrimidin-2-amine;tert-butyl 4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;ethane;(2S)-2-hydroxypropanoic acid;4-methyl-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;oxolan-2-ol?

The IUPAC name of (2S)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyrimidin-2-amine;tert-butyl 4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;ethane;(2S)-2-hydroxypropanoic acid;4-methyl-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;oxolan-2-ol (CID 159437581) is (2S)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyrimidin-2-amine;tert-butyl 4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;ethane;(2S)-2-hydroxypropanoic acid;4-methyl-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;oxolan-2-ol.

What is the SMILES notation for (2S)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyrimidin-2-amine;tert-butyl 4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;ethane;(2S)-2-hydroxypropanoic acid;4-methyl-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;oxolan-2-ol?

The canonical SMILES for (2S)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyrimidin-2-amine;tert-butyl 4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;ethane;(2S)-2-hydroxypropanoic acid;4-methyl-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;oxolan-2-ol is CC.C[C@H](O)C(=O)O.Cc1nc(N)ncc1-c1nc(N2CCOCC2)nc2c(Br)csc12.Cc1nc(N)ncc1-c1nc(N2CCOCC2)nc2c(CN3CCN(C(=O)OC(C)(C)C)CC3)csc12.Cc1nc(N)ncc1-c1nc(N2CCOCC2)nc2c(CN3CCN(C(=O)[C@H](C)O)CC3)csc12.Cc1nc(N)ncc1-c1nc(N2CCOCC2)nc2c(CN3CCNCC3)csc12.OC1CCCO1.

What is the InChIKey of (2S)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyrimidin-2-amine;tert-butyl 4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;ethane;(2S)-2-hydroxypropanoic acid;4-methyl-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;oxolan-2-ol?

The InChIKey is LRTQBPHRNGCANT-IMZMZXBKSA-N. The full InChI is InChI=1S/C25H34N8O3S.C23H30N8O3S.C20H26N8OS.C15H15BrN6OS.C4H8O2.C3H6O3.C2H6/c1-16-18(13-27-22(26)28-16)20-21-19(29-23(30-20)32-9-11-35-12-10-32)17(15-37-21)14-31-5-7-33(8-6-31)24(34)36-25(2,3)4;1-14-17(11-25-22(24)26-14)19-20-18(27-23(28-19)31-7-9-34-10-8-31)16(13-35-20)12-29-3-5-30(6-4-29)21(33)15(2)32;1-13-15(10-23-19(21)24-13)17-18-16(25-20(26-17)28-6-8-29-9-7-28)14(12-30-18)11-27-4-2-22-3-5-27;1-8-9(6-18-14(17)19-8)11-13-12(10(16)7-24-13)21-15(20-11)22-2-4-23-5-3-22;5-4-2-1-3-6-4;1-2(4)3(5)6;1-2/h13,15H,5-12,14H2,1-4H3,(H2,26,27,28);11,13,15,32H,3-10,12H2,1-2H3,(H2,24,25,26);10,12,22H,2-9,11H2,1H3,(H2,21,23,24);6-7H,2-5H2,1H3,(H2,17,18,19);4-5H,1-3H2;2,4H,1H3,(H,5,6);1-2H3/t;15-;;;;2-;/m.0...0./s1.

What are the key properties of (2S)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyrimidin-2-amine;tert-butyl 4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;ethane;(2S)-2-hydroxypropanoic acid;4-methyl-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;oxolan-2-ol?

(2S)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyrimidin-2-amine;tert-butyl 4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;ethane;(2S)-2-hydroxypropanoic acid;4-methyl-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;oxolan-2-ol has a molecular weight of 2067.38 g/mol, XLogP of 8.34, 16 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyrimidin-2-amine;tert-butyl 4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;ethane;(2S)-2-hydroxypropanoic acid;4-methyl-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;oxolan-2-ol is sourced from PubChem (CID 159437581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).