6-(2-bromofuran-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one

C10H5BrN2O2S — CID 136673922

IUPAC6-(2-bromofuran-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cc(-c3ccoc3Br)sc12
InChIInChI=1S/C10H5BrN2O2S/c11-9-5(1-2-15-9)7-3-6-8(16-7)10(14)13-4-12-6/h1-4H,(H,12,13,14)
InChIKeyFMASJKVVFVEWHW-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.01
Rot. Bonds1

About 6-(2-bromofuran-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one

6-(2-bromofuran-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136673922) has the molecular formula C10H5BrN2O2S and a molecular weight of 297.13 g/mol. Its IUPAC name is 6-(2-bromofuran-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-bromofuran-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136673922
Molecular FormulaC10H5BrN2O2S
Molecular Weight297.13 g/mol
Exact Mass295.93
IUPAC Name6-(2-bromofuran-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cc(-c3ccoc3Br)sc12
InChIInChI=1S/C10H5BrN2O2S/c11-9-5(1-2-15-9)7-3-6-8(16-7)10(14)13-4-12-6/h1-4H,(H,12,13,14)
InChIKeyFMASJKVVFVEWHW-UHFFFAOYSA-N
XLogP3.01
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromofuran-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(2-bromofuran-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 136673922) is 6-(2-bromofuran-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-bromofuran-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-bromofuran-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2cc(-c3ccoc3Br)sc12.
What is the InChIKey of 6-(2-bromofuran-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is FMASJKVVFVEWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN2O2S/c11-9-5(1-2-15-9)7-3-6-8(16-7)10(14)13-4-12-6/h1-4H,(H,12,13,14).
What are the key properties of 6-(2-bromofuran-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
6-(2-bromofuran-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 297.13 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromofuran-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136673922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).