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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

Name: 6-chloro-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

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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

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Related Functional Groups

Halides

[859473-05-5]C9H6Cl2N2S
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[111-85-3]C8H17Cl
1-Chlorooctane
[199114-62-0]C10H9ClN2O
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[1431970-24-9]C8H14ClF2N3
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

Pyrazolo[n,m-d]Pyrimidine

[681428-42-2]C14H19N5O2
Ethyl 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
[938001-08-2]C10H9F2N3O3
Ethyl 7-(difluoromethyl)-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylate
[938022-20-9]C10H11N3O3
Ethyl 7-methyl-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylate
[939979-43-8]C7H5Cl2N3
5,7-Dichloro-3-methylpyrazolo[1,5-a]pyrimidine
[393845-35-7]C19H21N5O2
Ethyl 1-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
[1855889-10-9]C11H13N3O3
Methyl [(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)oxy]acetate

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

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

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