3-ethyl-1-(2-methoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione

C13H18N2O3S — CID 155560676

IUPAC3-ethyl-1-(2-methoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2c(C)c(C)sc2n(CCOC)c1=O
InChIInChI=1S/C13H18N2O3S/c1-5-14-11(16)10-8(2)9(3)19-12(10)15(13(14)17)6-7-18-4/h5-7H2,1-4H3
InChIKeyPXXNNVPEUFWXFM-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.51
Rot. Bonds4

About 3-ethyl-1-(2-methoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione

3-ethyl-1-(2-methoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 155560676) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-ethyl-1-(2-methoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID155560676
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name3-ethyl-1-(2-methoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2c(C)c(C)sc2n(CCOC)c1=O
InChIInChI=1S/C13H18N2O3S/c1-5-14-11(16)10-8(2)9(3)19-12(10)15(13(14)17)6-7-18-4/h5-7H2,1-4H3
InChIKeyPXXNNVPEUFWXFM-UHFFFAOYSA-N
XLogP1.51
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Ethyl-6-(4-hydroxypiperidine-1-carbonyl)-5-methyl-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118016229
4-(2-Methoxyethyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
CID 2376086
4-(3-Methoxypropyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
CID 2431987
3-(2-methoxyethyl)-7-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 3565925
1-(2-Methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 155544551
1-ethyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 2219623
6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4583251
11-Ethyl-9-(2-methoxyethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione
CID 155514761
1-(2-Methoxyethyl)-5-methyl-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 155518555
N,N-diethyl-1-(2-methoxyethyl)-5-methyl-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 155520492
3-Ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
CID 155522797
1-(2-Methoxyethyl)-5-methyl-3-(2-phenylethyl)-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 155523200

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-1-(2-methoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione (CID 155560676) is 3-ethyl-1-(2-methoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-1-(2-methoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-1-(2-methoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)c2c(C)c(C)sc2n(CCOC)c1=O.
What is the InChIKey of 3-ethyl-1-(2-methoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PXXNNVPEUFWXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-5-14-11(16)10-8(2)9(3)19-12(10)15(13(14)17)6-7-18-4/h5-7H2,1-4H3.
What are the key properties of 3-ethyl-1-(2-methoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
3-ethyl-1-(2-methoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 282.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155560676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).