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

C12H7BrN2OS — CID 135413401

IUPAC6-(4-bromophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cc(-c3ccc(Br)cc3)sc12
InChIInChI=1S/C12H7BrN2OS/c13-8-3-1-7(2-4-8)10-5-9-11(17-10)12(16)15-6-14-9/h1-6H,(H,14,15,16)
InChIKeyCTZPYIQFWUGOTD-UHFFFAOYSA-N
MW307.17 g/mol
LogP3.41
Rot. Bonds1

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

6-(4-bromophenyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135413401) has the molecular formula C12H7BrN2OS and a molecular weight of 307.17 g/mol. Its IUPAC name is 6-(4-bromophenyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-bromophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135413401
Molecular FormulaC12H7BrN2OS
Molecular Weight307.17 g/mol
Exact Mass305.95
IUPAC Name6-(4-bromophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cc(-c3ccc(Br)cc3)sc12
InChIInChI=1S/C12H7BrN2OS/c13-8-3-1-7(2-4-8)10-5-9-11(17-10)12(16)15-6-14-9/h1-6H,(H,14,15,16)
InChIKeyCTZPYIQFWUGOTD-UHFFFAOYSA-N
XLogP3.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135468292
5-(4-bromophenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 727637
6-(4-fluorophenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135463111
6-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 682824
3-Methyl-6-phenyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one
CID 118719986
7-phenyl-6-(trifluoromethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136027075
6-(4-bromophenyl)-2-(isopropylamino)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136299390
6-(4-bromophenyl)-2-(tert-butylamino)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136299402
7-(4-bromophenyl)-2-(isopropylamino)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136961698
7-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 135413416
6-(4-chlorophenyl)-3H,4H-thieno(3,2-d)pyrimidin-4-one
CID 135399168
7-(4-bromophenyl)-3-(3-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 45501046

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-bromophenyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 135413401) is 6-(4-bromophenyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-bromophenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-bromophenyl)-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2cc(-c3ccc(Br)cc3)sc12.
What is the InChIKey of 6-(4-bromophenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is CTZPYIQFWUGOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2OS/c13-8-3-1-7(2-4-8)10-5-9-11(17-10)12(16)15-6-14-9/h1-6H,(H,14,15,16).
What are the key properties of 6-(4-bromophenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
6-(4-bromophenyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 307.17 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135413401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).