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

C8H8N2O2S — CID 67557929

IUPAC3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc2c(=O)n(C)c(=O)[nH]c2s1
InChIInChI=1S/C8H8N2O2S/c1-4-3-5-6(13-4)9-8(12)10(2)7(5)11/h3H,1-2H3,(H,9,12)
InChIKeyYKMPYSYKCPCGAH-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.60
Rot. Bonds

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

3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 67557929) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID67557929
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc2c(=O)n(C)c(=O)[nH]c2s1
InChIInChI=1S/C8H8N2O2S/c1-4-3-5-6(13-4)9-8(12)10(2)7(5)11/h3H,1-2H3,(H,9,12)
InChIKeyYKMPYSYKCPCGAH-UHFFFAOYSA-N
XLogP0.60
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 67557929) is 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is Cc1cc2c(=O)n(C)c(=O)[nH]c2s1.
What is the InChIKey of 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is YKMPYSYKCPCGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-4-3-5-6(13-4)9-8(12)10(2)7(5)11/h3H,1-2H3,(H,9,12).
What are the key properties of 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 196.23 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 67557929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).