1H-thieno[3,4-d]pyrimidin-2-one

C6H4N2OS — CID 140997537

IUPAC1H-thieno[3,4-d]pyrimidin-2-one
SMILESO=c1ncc2cscc2[nH]1
InChIInChI=1S/C6H4N2OS/c9-6-7-1-4-2-10-3-5(4)8-6/h1-3H,(H,8,9)
InChIKeyLVARDZKYWVABHY-UHFFFAOYSA-N
MW152.18 g/mol
LogP0.98
Rot. Bonds

About 1H-thieno[3,4-d]pyrimidin-2-one

1H-thieno[3,4-d]pyrimidin-2-one (PubChem CID 140997537) has the molecular formula C6H4N2OS and a molecular weight of 152.18 g/mol. Its IUPAC name is 1H-thieno[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name1H-thieno[3,4-d]pyrimidin-2-one
PubChem CID140997537
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC Name1H-thieno[3,4-d]pyrimidin-2-one
SMILESO=c1ncc2cscc2[nH]1
InChIInChI=1S/C6H4N2OS/c9-6-7-1-4-2-10-3-5(4)8-6/h1-3H,(H,8,9)
InChIKeyLVARDZKYWVABHY-UHFFFAOYSA-N
XLogP0.98
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-thieno[3,4-d]pyrimidin-2-one?
The IUPAC name of 1H-thieno[3,4-d]pyrimidin-2-one (CID 140997537) is 1H-thieno[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 1H-thieno[3,4-d]pyrimidin-2-one?
The canonical SMILES for 1H-thieno[3,4-d]pyrimidin-2-one is O=c1ncc2cscc2[nH]1.
What is the InChIKey of 1H-thieno[3,4-d]pyrimidin-2-one?
The InChIKey is LVARDZKYWVABHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c9-6-7-1-4-2-10-3-5(4)8-6/h1-3H,(H,8,9).
What are the key properties of 1H-thieno[3,4-d]pyrimidin-2-one?
1H-thieno[3,4-d]pyrimidin-2-one has a molecular weight of 152.18 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-thieno[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 140997537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).