5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

C8H8N2O2S — CID 709236

IUPAC5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1sc2[nH]c(=O)[nH]c(=O)c2c1C
InChIInChI=1S/C8H8N2O2S/c1-3-4(2)13-7-5(3)6(11)9-8(12)10-7/h1-2H3,(H2,9,10,11,12)
InChIKeyDBDWJBNPOZKDOJ-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.89
Rot. Bonds

About 5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 709236) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID709236
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1sc2[nH]c(=O)[nH]c(=O)c2c1C
InChIInChI=1S/C8H8N2O2S/c1-3-4(2)13-7-5(3)6(11)9-8(12)10-7/h1-2H3,(H2,9,10,11,12)
InChIKeyDBDWJBNPOZKDOJ-UHFFFAOYSA-N
XLogP0.89
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 709236) is 5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is Cc1sc2[nH]c(=O)[nH]c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DBDWJBNPOZKDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-3-4(2)13-7-5(3)6(11)9-8(12)10-7/h1-2H3,(H2,9,10,11,12).
What are the key properties of 5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 196.23 g/mol, XLogP of 0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 709236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).