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

C24H28N4O4S — CID 155568402

IUPAC6-[1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(C)(O)c3cncn3C)sc21
InChIInChI=1S/C24H28N4O4S/c1-16-19-21(29)27(11-10-17-8-6-5-7-9-17)23(30)28(12-13-32-4)22(19)33-20(16)24(2,31)18-14-25-15-26(18)3/h5-9,14-15,31H,10-13H2,1-4H3
InChIKeyZPOZKMMLDSGPGP-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.41
Rot. Bonds8

About 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

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 (PubChem CID 155568402) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID155568402
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name6-[1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(C)(O)c3cncn3C)sc21
InChIInChI=1S/C24H28N4O4S/c1-16-19-21(29)27(11-10-17-8-6-5-7-9-17)23(30)28(12-13-32-4)22(19)33-20(16)24(2,31)18-14-25-15-26(18)3/h5-9,14-15,31H,10-13H2,1-4H3
InChIKeyZPOZKMMLDSGPGP-UHFFFAOYSA-N
XLogP2.41
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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
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
ethyl 3-(2-amino-2-oxoethyl)-5-methyl-2,4-dioxo-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 46728534
ethyl 3-(3-amino-3-hydroxypropyl)-5-methyl-2,4-dioxo-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 134570047
ethane;2-[6-ethoxycarbonyl-5-methyl-2,4-dioxo-1-(2-phenylethyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid;hydrate
CID 145320071
1-[(2-chlorophenyl)methyl]-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 15989060
[1-(2-methoxyethyl)-5-methyl-2,4-dioxo-3-propylthieno[2,3-d]pyrimidin-6-yl] hydrogen carbonate
CID 118010974
N,N-diethyl-5-methyl-1-[(4-methylphenyl)methyl]-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 5067840
1-[(4-chlorophenyl)methyl]-N,N-diethyl-5-methyl-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4661728
2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-1-yl]acetic acid
CID 172762942
2-[5,6-dimethyl-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 15993894

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(C)(O)c3cncn3C)sc21.
What is the InChIKey of 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?
The InChIKey is ZPOZKMMLDSGPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-16-19-21(29)27(11-10-17-8-6-5-7-9-17)23(30)28(12-13-32-4)22(19)33-20(16)24(2,31)18-14-25-15-26(18)3/h5-9,14-15,31H,10-13H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 468.58 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155568402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).