1-ethyl-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione

C10H12N2O2S — CID 69325069

IUPAC1-ethyl-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)n(C)c(=O)c2c(C)csc21
InChIInChI=1S/C10H12N2O2S/c1-4-12-9-7(6(2)5-15-9)8(13)11(3)10(12)14/h5H,4H2,1-3H3
InChIKeyBFFCWHAHOGKNHU-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.09
Rot. Bonds1

About 1-ethyl-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione

1-ethyl-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 69325069) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID69325069
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name1-ethyl-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)n(C)c(=O)c2c(C)csc21
InChIInChI=1S/C10H12N2O2S/c1-4-12-9-7(6(2)5-15-9)8(13)11(3)10(12)14/h5H,4H2,1-3H3
InChIKeyBFFCWHAHOGKNHU-UHFFFAOYSA-N
XLogP1.09
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione (CID 69325069) is 1-ethyl-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)n(C)c(=O)c2c(C)csc21.
What is the InChIKey of 1-ethyl-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BFFCWHAHOGKNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-4-12-9-7(6(2)5-15-9)8(13)11(3)10(12)14/h5H,4H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
1-ethyl-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 224.28 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 69325069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).