1-(2-methoxyethyl)-5-methyl-6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione

C23H28N4O4S — CID 122574962

IUPAC1-(2-methoxyethyl)-5-methyl-6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(CN3CCN(C)C3=O)sc21
InChIInChI=1S/C23H28N4O4S/c1-16-18(15-25-12-11-24(2)22(25)29)32-21-19(16)20(28)26(23(30)27(21)13-14-31-3)10-9-17-7-5-4-6-8-17/h4-8H,9-15H2,1-3H3
InChIKeyPYFLOOLOCTYXFE-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.29
Rot. Bonds8

About 1-(2-methoxyethyl)-5-methyl-6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione

1-(2-methoxyethyl)-5-methyl-6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 122574962) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-methyl-6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-methyl-6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID122574962
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name1-(2-methoxyethyl)-5-methyl-6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(CN3CCN(C)C3=O)sc21
InChIInChI=1S/C23H28N4O4S/c1-16-18(15-25-12-11-24(2)22(25)29)32-21-19(16)20(28)26(23(30)27(21)13-14-31-3)10-9-17-7-5-4-6-8-17/h4-8H,9-15H2,1-3H3
InChIKeyPYFLOOLOCTYXFE-UHFFFAOYSA-N
XLogP2.29
TPSA76.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(imidazol-1-ylmethyl)-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 155542641
3-(2-methoxyethyl)-5-methyl-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 146481151
3-ethyl-6-[[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 122574656
6-[1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 155568402
1-[(2-chlorophenyl)methyl]-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 15989060
3-ethyl-1-(2-methoxyethyl)-5-methyl-6-[(4-methyl-2-sulfanylideneimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 122575125
1,3-bis(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
CID 18829368
1-(2-methoxyethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 134384614
3-ethyl-1-(2-methoxyethyl)-5-methyl-6-[(4-methyl-2-oxo-1H-imidazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 122574705
ethyl 3-(3-amino-3-hydroxypropyl)-5-methyl-2,4-dioxo-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 134570047
ethyl 3-(2-amino-2-oxoethyl)-5-methyl-2,4-dioxo-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 46728534
1-(2-methoxyethyl)-5-methyl-6-[(2-oxoimidazolidin-1-yl)methyl]-3-[(2S)-1,1,1-trifluoropropan-2-yl]thieno[2,3-d]pyrimidine-2,4-dione
CID 134318488

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-methyl-6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(2-methoxyethyl)-5-methyl-6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 122574962) is 1-(2-methoxyethyl)-5-methyl-6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-5-methyl-6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-methoxyethyl)-5-methyl-6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione is COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(CN3CCN(C)C3=O)sc21.
What is the InChIKey of 1-(2-methoxyethyl)-5-methyl-6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PYFLOOLOCTYXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-16-18(15-25-12-11-24(2)22(25)29)32-21-19(16)20(28)26(23(30)27(21)13-14-31-3)10-9-17-7-5-4-6-8-17/h4-8H,9-15H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-5-methyl-6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
1-(2-methoxyethyl)-5-methyl-6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 456.57 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-methyl-6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 122574962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).