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Pyrazolo[n,m-d]Pyrimidine
6-chloro-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

6-chloro-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one - CAS 5334-35-0

Catalog:	BB028162
Product Name:	6-chloro-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CAS:	5334-35-0
Synonyms:	6-chloro-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one; 6-chloro-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-chloro-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
Description:	6-chloro-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one (CAS# 5334-35-0) is a useful research chemical.
Molecular Weight:	184.583
Molecular Formula:	C6H5ClN4O
Canonical SMILES:	CN1C2=C(C=N1)C(=O)NC(=N2)Cl
InChI:	InChI=1S/C6H5ClN4O/c1-11-4-3(2-8-11)5(12)10-6(7)9-4/h2H,1H3,(H,9,10,12)
InChI Key:	ZEOTVBXCUMNWLS-UHFFFAOYSA-N
Boiling Point:	301.8 °C at 760 mmHg
Density:	1.79 g/cm³
LogP:	0.31000

Publication Number	Title	Priority Date
US-2015218168-A1	N-substituted pyrazolo [3,4-d] pyrimidine ketone compound, and preparation process and use thereof	20120808
US-9617269-B2	N-substituted pyrazolo [3,4-D] pyrimidine ketone compound, and preparation process and use thereof	20120808
CA-2874546-A1	Pyrazolopyrimidone and pyrazolopyridone inhibitors of tankyrase	20120607
EP-2858994-A1	Pyrazolopyrimidone and pyrazolopyridone inhibitors of tankyrase	20120607
JP-2015518870-A	Pyrazolopyridone inhibitors of pyrazolopyrimidone and tankyrase	20120607

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Related Functional Groups

Halides

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[111-85-3]
1-Chlorooctane

Pyrazolo[n,m-d]Pyrimidine

[681428-42-2]
Ethyl 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
[335223-43-3]
Ethyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate
[938001-08-2]
Ethyl 7-(difluoromethyl)-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylate
[938022-20-9]
Ethyl 7-methyl-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylate
[939979-43-8]
5,7-Dichloro-3-methylpyrazolo[1,5-a]pyrimidine
[98138-75-1]
6-Chloro-4-methoxy-1H-pyrazolo[3,4-d]pyrimidine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.0151885
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.0151885
Rotatable Bond Count:	0
Topological Polar Surface Area:	59.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4