1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine - CAS 862728-60-7

Catalog:	BB037879
Product Name:	1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CAS:	862728-60-7
Synonyms:	1-tert-butyl-4-pyrazolo[3,4-d]pyrimidinamine; 1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine

Technical Data

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Computed Properties

IUPAC Name:	1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
Description:	1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS# 862728-60-7) is a useful research chemical compound.
Molecular Weight:	191.238
Molecular Formula:	C9H13N5
Canonical SMILES:	CC(C)(C)N1C2=C(C=N1)C(=NC=N2)N
InChI:	InChI=1S/C9H13N5/c1-9(2,3)14-8-6(4-13-14)7(10)11-5-12-8/h4-5H,1-3H3,(H2,10,11,12)
InChI Key:	VAJUWSKUVHLSQA-UHFFFAOYSA-N
LogP:	0.00000

Publication Number	Title	Priority Date
WO-2021036022-A1	Pet/ct tracer having selectivity for different lung cancer cells, preparation method therefor and use thereof	20190830
CN-110526921-A	A kind of compound and its preparation method and application with anti-inflammatory effect	20190807
CN-110548032-A	Application of pyrazolopyrimidine compound in preparation of drugs for preventing/treating tumors	20190807
CN-110551130-A	Three-dimensional network structure crystal with high porosity and preparation method thereof	20190807
WO-2021022718-A1	Application of pyrazolopyrimidine compound in preparation of drugs for preventing/treating tumors	20190807

PMID	Publication Date	Title	Journal
22320388	20120308	Development of Toxoplasma gondii calcium-dependent protein kinase 1 (TgCDPK1) inhibitors with potent anti-toxoplasma activity	Journal of medicinal chemistry

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Related Functional Groups

Pyrazolo[n,m-d]Pyrimidine

[1367815-84-6]
7-Isopropylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
[1224944-46-0]
5-Oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
[393845-35-7]
Ethyl 1-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
[1855889-10-9]
Methyl [(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)oxy]acetate
[1781902-80-4]
3-Chloropyrazolo[1,5-a]pyrimidin-7-amine
[98138-75-1]
6-Chloro-4-methoxy-1H-pyrazolo[3,4-d]pyrimidine

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.11709544
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.11709544
Rotatable Bond Count:	1
Topological Polar Surface Area:	69.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7