Skip to content

1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione

C28H33FN6O6S — CID 129080223

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(F)cc1C(Cn1c(=O)n(C2CCCN(C(C)C)C2=O)c(=O)c2c(C)c(-n3nccn3)sc21)OCCO
InChIInChI=1S/C28H33FN6O6S/c1-16(2)32-11-5-6-20(24(32)37)34-25(38)23-17(3)26(35-30-9-10-31-35)42-27(23)33(28(34)39)15-22(41-13-12-36)19-14-18(29)7-8-21(19)40-4/h7-10,14,16,20,22,36H,5-6,11-13,15H2,1-4H3
InChIKeyWMTAQNQUDGWFEE-UHFFFAOYSA-N
MW600.67 g/mol
LogP2.58
Rot. Bonds10

About 1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione

1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 129080223) has the molecular formula C28H33FN6O6S and a molecular weight of 600.67 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID129080223
Molecular FormulaC28H33FN6O6S
Molecular Weight600.67 g/mol
Exact Mass600.22
IUPAC Name1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(F)cc1C(Cn1c(=O)n(C2CCCN(C(C)C)C2=O)c(=O)c2c(C)c(-n3nccn3)sc21)OCCO
InChIInChI=1S/C28H33FN6O6S/c1-16(2)32-11-5-6-20(24(32)37)34-25(38)23-17(3)26(35-30-9-10-31-35)42-27(23)33(28(34)39)15-22(41-13-12-36)19-14-18(29)7-8-21(19)40-4/h7-10,14,16,20,22,36H,5-6,11-13,15H2,1-4H3
InChIKeyWMTAQNQUDGWFEE-UHFFFAOYSA-N
XLogP2.58
TPSA133.71 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.67
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione (CID 129080223) is 1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione is COc1ccc(F)cc1C(Cn1c(=O)n(C2CCCN(C(C)C)C2=O)c(=O)c2c(C)c(-n3nccn3)sc21)OCCO.
What is the InChIKey of 1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WMTAQNQUDGWFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN6O6S/c1-16(2)32-11-5-6-20(24(32)37)34-25(38)23-17(3)26(35-30-9-10-31-35)42-27(23)33(28(34)39)15-22(41-13-12-36)19-14-18(29)7-8-21(19)40-4/h7-10,14,16,20,22,36H,5-6,11-13,15H2,1-4H3.
What are the key properties of 1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 600.67 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-3-(2-oxo-1-propan-2-ylpiperidin-3-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 129080223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.