1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;2-methoxyethanol

C29H36FN5O6S — CID 145319451

About 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;2-methoxyethanol

1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;2-methoxyethanol (PubChem CID 145319451) has the molecular formula C29H36FN5O6S and a molecular weight of 601.70 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;2-methoxyethanol.

Molecular Properties

• Compound Name: 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;2-methoxyethanol
• PubChem CID: 145319451
• Molecular Formula: C29H36FN5O6S
• Molecular Weight: 601.70 g/mol
• Exact Mass: 601.24
• IUPAC Name: 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;2-methoxyethanol
• SMILES: COCCO.COc1ccc(F)cc1CCn1c(=O)n(C(C)C(=O)N2CCCC2)c(=O)c2c(C)c(-n3cccn3)sc21
• InChI: InChI=1S/C26H28FN5O4S.C3H8O2/c1-16-21-23(34)32(17(2)22(33)29-11-4-5-12-29)26(35)30(25(21)37-24(16)31-13-6-10-28-31)14-9-18-15-19(27)7-8-20(18)36-3;1-5-3-2-4/h6-8,10,13,15,17H,4-5,9,11-12,14H2,1-3H3;4H,2-3H2,1H3
• InChIKey: ZTTPLGOISZBGTJ-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 120.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.70
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;2-methoxyethanol?

The IUPAC name of 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;2-methoxyethanol (CID 145319451) is 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;2-methoxyethanol.

What is the SMILES notation for 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;2-methoxyethanol?

The canonical SMILES for 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;2-methoxyethanol is COCCO.COc1ccc(F)cc1CCn1c(=O)n(C(C)C(=O)N2CCCC2)c(=O)c2c(C)c(-n3cccn3)sc21.

What is the InChIKey of 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;2-methoxyethanol?

The InChIKey is ZTTPLGOISZBGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O4S.C3H8O2/c1-16-21-23(34)32(17(2)22(33)29-11-4-5-12-29)26(35)30(25(21)37-24(16)31-13-6-10-28-31)14-9-18-15-19(27)7-8-20(18)36-3;1-5-3-2-4/h6-8,10,13,15,17H,4-5,9,11-12,14H2,1-3H3;4H,2-3H2,1H3.

What are the key properties of 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;2-methoxyethanol?

1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;2-methoxyethanol has a molecular weight of 601.70 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione;2-methoxyethanol is sourced from PubChem (CID 145319451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).