2-methyl-3H-thieno[3,2-d]pyrimidin-4-one

C7H6N2OS — CID 135585886

IUPAC2-methyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C7H6N2OS/c1-4-8-5-2-3-11-6(5)7(10)9-4/h2-3H,1H3,(H,8,9,10)
InChIKeyIAAFTUOIPKKJAA-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.29
Rot. Bonds

About 2-methyl-3H-thieno[3,2-d]pyrimidin-4-one

2-methyl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135585886) has the molecular formula C7H6N2OS and a molecular weight of 166.21 g/mol. Its IUPAC name is 2-methyl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135585886
Molecular FormulaC7H6N2OS
Molecular Weight166.21 g/mol
Exact Mass166.02
IUPAC Name2-methyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C7H6N2OS/c1-4-8-5-2-3-11-6(5)7(10)9-4/h2-3H,1H3,(H,8,9,10)
InChIKeyIAAFTUOIPKKJAA-UHFFFAOYSA-N
XLogP1.29
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-3H-thieno[3,2-d]pyrimidin-4-one (CID 135585886) is 2-methyl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3H-thieno[3,2-d]pyrimidin-4-one is Cc1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is IAAFTUOIPKKJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c1-4-8-5-2-3-11-6(5)7(10)9-4/h2-3H,1H3,(H,8,9,10).
What are the key properties of 2-methyl-3H-thieno[3,2-d]pyrimidin-4-one?
2-methyl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 166.21 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135585886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).