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7-Bromothieno[3,2-d]pyrimidin-4(3H)-one

7-Bromothieno[3,2-d]pyrimidin-4(3H)-one - CAS 31169-25-2

Catalog:	BB020818
Product Name:	7-Bromothieno[3,2-d]pyrimidin-4(3H)-one
CAS:	31169-25-2
Synonyms:	7-bromo-3H-thieno[3,2-d]pyrimidin-4-one; 7-bromo-3H-thieno[3,2-d]pyrimidin-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	7-bromo-3H-thieno[3,2-d]pyrimidin-4-one
Description:	7-Bromothieno[3,2-d]pyrimidin-4(3H)-one (CAS# 31169-25-2) is a useful research chemical.
Molecular Weight:	231.07
Molecular Formula:	C6H3BrN2OS
Canonical SMILES:	C1=C(C2=C(S1)C(=O)NC=N2)Br
InChI:	InChI=1S/C6H3BrN2OS/c7-3-1-11-5-4(3)8-2-9-6(5)10/h1-2H,(H,8,9,10)
InChI Key:	SFFNZDXKMOSLNK-UHFFFAOYSA-N
Boiling Point:	452.733 °C at 760 mmHg
Density:	2.185 g/cm³
MDL:	MFCD11518998
LogP:	1.74710

Publication Number	Title	Priority Date
WO-2021133915-A1	Ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) modulators and uses thereof	20191223
EP-3468974-A1	New piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them	20160610
EP-3468974-B1	New piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them	20160610
JP-2019517556-A	Novel piperidinyl derivatives, processes for their preparation and pharmaceutical compositions containing them	20160610
KR-20190016106-A	Novel piperidinyl derivatives, processes for their preparation and pharmaceutical compositions containing them	20160610

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Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.91495
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.91495
Rotatable Bond Count:	0
Topological Polar Surface Area:	69.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4