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

C23H29N3O4S — CID 155552481

IUPAC1-(2-methoxyethyl)-5-methyl-6-(morpholin-4-ylmethyl)-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(CN3CCOCC3)sc21
InChIInChI=1S/C23H29N3O4S/c1-17-19(16-24-10-14-30-15-11-24)31-22-20(17)21(27)25(23(28)26(22)12-13-29-2)9-8-18-6-4-3-5-7-18/h3-7H,8-16H2,1-2H3
InChIKeyMZBLHSIKXADFCY-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.25
Rot. Bonds8

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

1-(2-methoxyethyl)-5-methyl-6-(morpholin-4-ylmethyl)-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 155552481) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-methyl-6-(morpholin-4-ylmethyl)-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-methyl-6-(morpholin-4-ylmethyl)-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID155552481
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name1-(2-methoxyethyl)-5-methyl-6-(morpholin-4-ylmethyl)-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(CN3CCOCC3)sc21
InChIInChI=1S/C23H29N3O4S/c1-17-19(16-24-10-14-30-15-11-24)31-22-20(17)21(27)25(23(28)26(22)12-13-29-2)9-8-18-6-4-3-5-7-18/h3-7H,8-16H2,1-2H3
InChIKeyMZBLHSIKXADFCY-UHFFFAOYSA-N
XLogP2.25
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-methyl-6-(morpholin-4-ylmethyl)-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(2-methoxyethyl)-5-methyl-6-(morpholin-4-ylmethyl)-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 155552481) is 1-(2-methoxyethyl)-5-methyl-6-(morpholin-4-ylmethyl)-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-5-methyl-6-(morpholin-4-ylmethyl)-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-methoxyethyl)-5-methyl-6-(morpholin-4-ylmethyl)-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione is COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(CN3CCOCC3)sc21.
What is the InChIKey of 1-(2-methoxyethyl)-5-methyl-6-(morpholin-4-ylmethyl)-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MZBLHSIKXADFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-17-19(16-24-10-14-30-15-11-24)31-22-20(17)21(27)25(23(28)26(22)12-13-29-2)9-8-18-6-4-3-5-7-18/h3-7H,8-16H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-5-methyl-6-(morpholin-4-ylmethyl)-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
1-(2-methoxyethyl)-5-methyl-6-(morpholin-4-ylmethyl)-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 443.57 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-methyl-6-(morpholin-4-ylmethyl)-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155552481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).