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

C23H26N4O3S — CID 155551709

IUPAC1-(2-methoxyethyl)-5-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(Cc3nc[nH]c3C)sc21
InChIInChI=1S/C23H26N4O3S/c1-15-19(13-18-16(2)24-14-25-18)31-22-20(15)21(28)26(23(29)27(22)11-12-30-3)10-9-17-7-5-4-6-8-17/h4-8,14H,9-13H2,1-3H3,(H,24,25)
InChIKeyDFZCPUZPUSPEGQ-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.04
Rot. Bonds8

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

1-(2-methoxyethyl)-5-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 155551709) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID155551709
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name1-(2-methoxyethyl)-5-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(Cc3nc[nH]c3C)sc21
InChIInChI=1S/C23H26N4O3S/c1-15-19(13-18-16(2)24-14-25-18)31-22-20(15)21(28)26(23(29)27(22)11-12-30-3)10-9-17-7-5-4-6-8-17/h4-8,14H,9-13H2,1-3H3,(H,24,25)
InChIKeyDFZCPUZPUSPEGQ-UHFFFAOYSA-N
XLogP3.04
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(2-methoxyethyl)-5-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 155551709) is 1-(2-methoxyethyl)-5-methyl-6-[(5-methyl-1H-imidazol-4-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-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-methoxyethyl)-5-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione is COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(Cc3nc[nH]c3C)sc21.
What is the InChIKey of 1-(2-methoxyethyl)-5-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DFZCPUZPUSPEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-15-19(13-18-16(2)24-14-25-18)31-22-20(15)21(28)26(23(29)27(22)11-12-30-3)10-9-17-7-5-4-6-8-17/h4-8,14H,9-13H2,1-3H3,(H,24,25).
What are the key properties of 1-(2-methoxyethyl)-5-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
1-(2-methoxyethyl)-5-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 438.55 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155551709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).