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

C19H22N2O4S — CID 122574772

IUPAC6-(hydroxymethyl)-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(CO)sc21
InChIInChI=1S/C19H22N2O4S/c1-13-15(12-22)26-18-16(13)17(23)20(19(24)21(18)10-11-25-2)9-8-14-6-4-3-5-7-14/h3-7,22H,8-12H2,1-2H3
InChIKeyBALZROLHAHDDFR-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.91
Rot. Bonds7

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

6-(hydroxymethyl)-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 122574772) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 6-(hydroxymethyl)-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(hydroxymethyl)-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID122574772
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name6-(hydroxymethyl)-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(CO)sc21
InChIInChI=1S/C19H22N2O4S/c1-13-15(12-22)26-18-16(13)17(23)20(19(24)21(18)10-11-25-2)9-8-14-6-4-3-5-7-14/h3-7,22H,8-12H2,1-2H3
InChIKeyBALZROLHAHDDFR-UHFFFAOYSA-N
XLogP1.91
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(hydroxymethyl)-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 122574772) is 6-(hydroxymethyl)-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(hydroxymethyl)-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(hydroxymethyl)-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(CO)sc21.
What is the InChIKey of 6-(hydroxymethyl)-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BALZROLHAHDDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-15(12-22)26-18-16(13)17(23)20(19(24)21(18)10-11-25-2)9-8-14-6-4-3-5-7-14/h3-7,22H,8-12H2,1-2H3.
What are the key properties of 6-(hydroxymethyl)-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
6-(hydroxymethyl)-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 374.46 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 122574772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).