2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;ethane;2-methyloxolane

C44H60BrN13O4S2 — CID 158583295

About 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;ethane;2-methyloxolane

2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;ethane;2-methyloxolane (PubChem CID 158583295) has the molecular formula C44H60BrN13O4S2 and a molecular weight of 979.09 g/mol. Its IUPAC name is 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;ethane;2-methyloxolane.

Molecular Properties

• Compound Name: 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;ethane;2-methyloxolane
• PubChem CID: 158583295
• Molecular Formula: C44H60BrN13O4S2
• Molecular Weight: 979.09 g/mol
• Exact Mass: 977.35
• IUPAC Name: 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;ethane;2-methyloxolane
• SMILES: CC.CC(C)(O)C1CCN(Cc2csc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc23)CC1.CC1CCCO1.Nc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cn1
• InChI: InChI=1S/C23H31N7O2S.C14H13BrN6OS.C5H10O.C2H6/c1-23(2,31)17-3-5-29(6-4-17)13-16-14-33-20-18(15-11-25-21(24)26-12-15)27-22(28-19(16)20)30-7-9-32-10-8-30;15-9-7-23-12-10(8-5-17-13(16)18-6-8)19-14(20-11(9)12)21-1-3-22-4-2-21;1-5-3-2-4-6-5;1-2/h11-12,14,17,31H,3-10,13H2,1-2H3,(H2,24,25,26);5-7H,1-4H2,(H2,16,17,18);5H,2-4H2,1H3;1-2H3
• InChIKey: HTNALQJXLDOIRW-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 212.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	979.09
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;ethane;2-methyloxolane?

The IUPAC name of 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;ethane;2-methyloxolane (CID 158583295) is 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;ethane;2-methyloxolane.

What is the SMILES notation for 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;ethane;2-methyloxolane?

The canonical SMILES for 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;ethane;2-methyloxolane is CC.CC(C)(O)C1CCN(Cc2csc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc23)CC1.CC1CCCO1.Nc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cn1.

What is the InChIKey of 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;ethane;2-methyloxolane?

The InChIKey is HTNALQJXLDOIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2S.C14H13BrN6OS.C5H10O.C2H6/c1-23(2,31)17-3-5-29(6-4-17)13-16-14-33-20-18(15-11-25-21(24)26-12-15)27-22(28-19(16)20)30-7-9-32-10-8-30;15-9-7-23-12-10(8-5-17-13(16)18-6-8)19-14(20-11(9)12)21-1-3-22-4-2-21;1-5-3-2-4-6-5;1-2/h11-12,14,17,31H,3-10,13H2,1-2H3,(H2,24,25,26);5-7H,1-4H2,(H2,16,17,18);5H,2-4H2,1H3;1-2H3.

What are the key properties of 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;ethane;2-methyloxolane?

2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;ethane;2-methyloxolane has a molecular weight of 979.09 g/mol, XLogP of 7.09, 7 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;ethane;2-methyloxolane is sourced from PubChem (CID 158583295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).