2-[1-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetamide

C26H30BrN3O6S — CID 146304281

About 2-[1-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetamide

2-[1-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetamide (PubChem CID 146304281) has the molecular formula C26H30BrN3O6S and a molecular weight of 592.51 g/mol. Its IUPAC name is 2-[1-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetamide
• PubChem CID: 146304281
• Molecular Formula: C26H30BrN3O6S
• Molecular Weight: 592.51 g/mol
• Exact Mass: 591.10
• IUPAC Name: 2-[1-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetamide
• SMILES: COc1ccccc1[C@H](Cn1c(=O)n(C2(CC(N)=O)CC2)c(=O)c2c(C)c(Br)sc21)OC1CCOCC1
• InChI: InChI=1S/C26H30BrN3O6S/c1-15-21-23(32)30(26(9-10-26)13-20(28)31)25(33)29(24(21)37-22(15)27)14-19(36-16-7-11-35-12-8-16)17-5-3-4-6-18(17)34-2/h3-6,16,19H,7-14H2,1-2H3,(H2,28,31)/t19-/m0/s1
• InChIKey: AWGKZNOYDSGUBT-IBGZPJMESA-N
• XLogP: 3.61
• TPSA: 114.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.51
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetamide?

The IUPAC name of 2-[1-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetamide (CID 146304281) is 2-[1-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetamide.

What is the SMILES notation for 2-[1-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetamide?

The canonical SMILES for 2-[1-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetamide is COc1ccccc1[C@H](Cn1c(=O)n(C2(CC(N)=O)CC2)c(=O)c2c(C)c(Br)sc21)OC1CCOCC1.

What is the InChIKey of 2-[1-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetamide?

The InChIKey is AWGKZNOYDSGUBT-IBGZPJMESA-N. The full InChI is InChI=1S/C26H30BrN3O6S/c1-15-21-23(32)30(26(9-10-26)13-20(28)31)25(33)29(24(21)37-22(15)27)14-19(36-16-7-11-35-12-8-16)17-5-3-4-6-18(17)34-2/h3-6,16,19H,7-14H2,1-2H3,(H2,28,31)/t19-/m0/s1.

What are the key properties of 2-[1-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetamide?

2-[1-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetamide has a molecular weight of 592.51 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetamide is sourced from PubChem (CID 146304281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).