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

C18H20N2O3S — CID 146481151

IUPAC3-(2-methoxyethyl)-5-methyl-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)c2c(C)csc2n(CCc2ccccc2)c1=O
InChIInChI=1S/C18H20N2O3S/c1-13-12-24-17-15(13)16(21)19(10-11-23-2)18(22)20(17)9-8-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3
InChIKeyWPBOXMHMAXPOPK-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.42
Rot. Bonds6

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

3-(2-methoxyethyl)-5-methyl-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 146481151) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-methyl-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-methyl-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID146481151
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name3-(2-methoxyethyl)-5-methyl-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)c2c(C)csc2n(CCc2ccccc2)c1=O
InChIInChI=1S/C18H20N2O3S/c1-13-12-24-17-15(13)16(21)19(10-11-23-2)18(22)20(17)9-8-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3
InChIKeyWPBOXMHMAXPOPK-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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Related Compounds

5-methyl-3-(2-phenylethyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 155537122
3-(2,2-difluoro-2-phenylethyl)-1-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 155537687
6-(imidazol-1-ylmethyl)-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 155542641
1-(2-methoxyethyl)-5-methyl-6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 122574962
6-[1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 155568402
1,3-bis(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
CID 18829368
1-[(2-chlorophenyl)methyl]-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 15989060
ethyl 3-(3-amino-3-hydroxypropyl)-5-methyl-2,4-dioxo-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 134570047
ethyl 3-(2-amino-2-oxoethyl)-5-methyl-2,4-dioxo-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 46728534
1-[(2-fluorophenyl)methyl]-3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
CID 18829412
ethane;2-[6-ethoxycarbonyl-5-methyl-2,4-dioxo-1-(2-phenylethyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid;hydrate
CID 145320071
[1-(2-methoxyethyl)-5-methyl-2,4-dioxo-3-propylthieno[2,3-d]pyrimidin-6-yl] hydrogen carbonate
CID 118010974

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-methyl-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(2-methoxyethyl)-5-methyl-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 146481151) is 3-(2-methoxyethyl)-5-methyl-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-methoxyethyl)-5-methyl-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-methoxyethyl)-5-methyl-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione is COCCn1c(=O)c2c(C)csc2n(CCc2ccccc2)c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-5-methyl-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WPBOXMHMAXPOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-12-24-17-15(13)16(21)19(10-11-23-2)18(22)20(17)9-8-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-5-methyl-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
3-(2-methoxyethyl)-5-methyl-1-(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 3-(2-methoxyethyl)-5-methyl-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 146481151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).