1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-[(3S)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(3-methyl-6-oxopiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione

C54H62F2N12O12S2 — CID 159187408

About 1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-[(3S)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(3-methyl-6-oxopiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione

1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-[(3S)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(3-methyl-6-oxopiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 159187408) has the molecular formula C54H62F2N12O12S2 and a molecular weight of 1173.29 g/mol. Its IUPAC name is 1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-[(3S)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(3-methyl-6-oxopiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-[(3S)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(3-methyl-6-oxopiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 159187408
• Molecular Formula: C54H62F2N12O12S2
• Molecular Weight: 1173.29 g/mol
• Exact Mass: 1172.40
• IUPAC Name: 1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-[(3S)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(3-methyl-6-oxopiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
• SMILES: COCCO[C@@H](Cn1c(=O)n(C2(C)CCC(=O)NC2)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC.COCCO[C@@H](Cn1c(=O)n([C@@]2(C)CCC(=O)NC2)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC
• InChI: InChI=1S/2C27H31FN6O6S/c2*1-16-22-23(36)33(27(2)8-7-21(35)29-15-27)26(37)32(25(22)41-24(16)34-30-9-10-31-34)14-20(40-12-11-38-3)18-13-17(28)5-6-19(18)39-4/h2*5-6,9-10,13,20H,7-8,11-12,14-15H2,1-4H3,(H,29,35)/t20-,27?;20-,27-/m00/s1
• InChIKey: KNQVPVCRRYTLNR-ZFENQWJBSA-N
• XLogP: 4.58
• TPSA: 263.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1173.29
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-[(3S)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(3-methyl-6-oxopiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-[(3S)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(3-methyl-6-oxopiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione (CID 159187408) is 1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-[(3S)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(3-methyl-6-oxopiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-[(3S)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(3-methyl-6-oxopiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-[(3S)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(3-methyl-6-oxopiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione is COCCO[C@@H](Cn1c(=O)n(C2(C)CCC(=O)NC2)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC.COCCO[C@@H](Cn1c(=O)n([C@@]2(C)CCC(=O)NC2)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC.

What is the InChIKey of 1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-[(3S)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(3-methyl-6-oxopiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?

The InChIKey is KNQVPVCRRYTLNR-ZFENQWJBSA-N. The full InChI is InChI=1S/2C27H31FN6O6S/c2*1-16-22-23(36)33(27(2)8-7-21(35)29-15-27)26(37)32(25(22)41-24(16)34-30-9-10-31-34)14-20(40-12-11-38-3)18-13-17(28)5-6-19(18)39-4/h2*5-6,9-10,13,20H,7-8,11-12,14-15H2,1-4H3,(H,29,35)/t20-,27?;20-,27-/m00/s1.

What are the key properties of 1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-[(3S)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(3-methyl-6-oxopiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?

1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-[(3S)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(3-methyl-6-oxopiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 1173.29 g/mol, XLogP of 4.58, 20 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-[(3S)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]-5-methyl-3-(3-methyl-6-oxopiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 159187408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).