6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide

C6H6N2OS — CID 91522563

IUPAC6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide
SMILESO=S1CCc2ncncc21
InChIInChI=1S/C6H6N2OS/c9-10-2-1-5-6(10)3-7-4-8-5/h3-4H,1-2H2
InChIKeyOFLNFKHGFANRCZ-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.14
Rot. Bonds

About 6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide

6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide (PubChem CID 91522563) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide.

Molecular Properties

Compound Name6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide
PubChem CID91522563
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide
SMILESO=S1CCc2ncncc21
InChIInChI=1S/C6H6N2OS/c9-10-2-1-5-6(10)3-7-4-8-5/h3-4H,1-2H2
InChIKeyOFLNFKHGFANRCZ-UHFFFAOYSA-N
XLogP0.14
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide?
The IUPAC name of 6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide (CID 91522563) is 6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide.
What is the SMILES notation for 6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide?
The canonical SMILES for 6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide is O=S1CCc2ncncc21.
What is the InChIKey of 6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide?
The InChIKey is OFLNFKHGFANRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c9-10-2-1-5-6(10)3-7-4-8-5/h3-4H,1-2H2.
What are the key properties of 6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide?
6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide has a molecular weight of 154.19 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide is sourced from PubChem (CID 91522563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).