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

C19H22N2O3S — CID 155526352

IUPAC1-(2-methoxyethyl)-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C)sc21
InChIInChI=1S/C19H22N2O3S/c1-13-14(2)25-18-16(13)17(22)20(19(23)21(18)11-12-24-3)10-9-15-7-5-4-6-8-15/h4-8H,9-12H2,1-3H3
InChIKeyJGOYFMKFLPWVBR-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.73
Rot. Bonds6

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

1-(2-methoxyethyl)-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 155526352) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID155526352
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-(2-methoxyethyl)-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C)sc21
InChIInChI=1S/C19H22N2O3S/c1-13-14(2)25-18-16(13)17(22)20(19(23)21(18)11-12-24-3)10-9-15-7-5-4-6-8-15/h4-8H,9-12H2,1-3H3
InChIKeyJGOYFMKFLPWVBR-UHFFFAOYSA-N
XLogP2.73
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(2-methoxyethyl)-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 155526352) is 1-(2-methoxyethyl)-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-methoxyethyl)-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione is COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C)sc21.
What is the InChIKey of 1-(2-methoxyethyl)-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is JGOYFMKFLPWVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-14(2)25-18-16(13)17(22)20(19(23)21(18)11-12-24-3)10-9-15-7-5-4-6-8-15/h4-8H,9-12H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
1-(2-methoxyethyl)-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 358.46 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155526352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).