2-methyl-6,6-dioxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

C7H8N2O3S — CID 135544537

IUPAC2-methyl-6,6-dioxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CS(=O)(=O)C2
InChIInChI=1S/C7H8N2O3S/c1-4-8-6-3-13(11,12)2-5(6)7(10)9-4/h2-3H2,1H3,(H,8,9,10)
InChIKeyCHFQRNXVWIRODC-UHFFFAOYSA-N
MW200.22 g/mol
LogP-0.49
Rot. Bonds

About 2-methyl-6,6-dioxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

2-methyl-6,6-dioxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (PubChem CID 135544537) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-methyl-6,6-dioxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6,6-dioxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
PubChem CID135544537
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name2-methyl-6,6-dioxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CS(=O)(=O)C2
InChIInChI=1S/C7H8N2O3S/c1-4-8-6-3-13(11,12)2-5(6)7(10)9-4/h2-3H2,1H3,(H,8,9,10)
InChIKeyCHFQRNXVWIRODC-UHFFFAOYSA-N
XLogP-0.49
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6,6-dioxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,6-dioxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6,6-dioxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (CID 135544537) is 2-methyl-6,6-dioxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6,6-dioxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6,6-dioxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CS(=O)(=O)C2.
What is the InChIKey of 2-methyl-6,6-dioxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The InChIKey is CHFQRNXVWIRODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-4-8-6-3-13(11,12)2-5(6)7(10)9-4/h2-3H2,1H3,(H,8,9,10).
What are the key properties of 2-methyl-6,6-dioxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
2-methyl-6,6-dioxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one has a molecular weight of 200.22 g/mol, XLogP of -0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,6-dioxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135544537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).