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

C18H20N2O3S — CID 155544551

IUPAC1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)csc21
InChIInChI=1S/C18H20N2O3S/c1-13-12-24-17-15(13)16(21)19(18(22)20(17)10-11-23-2)9-8-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3
InChIKeyUJEDTRBTHRMWMQ-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.42
Rot. Bonds6

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

1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 155544551) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID155544551
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)csc21
InChIInChI=1S/C18H20N2O3S/c1-13-12-24-17-15(13)16(21)19(18(22)20(17)10-11-23-2)9-8-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3
InChIKeyUJEDTRBTHRMWMQ-UHFFFAOYSA-N
XLogP2.42
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 155544551) is 1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 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)csc21.
What is the InChIKey of 1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is UJEDTRBTHRMWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-12-24-17-15(13)16(21)19(18(22)20(17)10-11-23-2)9-8-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 344.44 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155544551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).