7H-Pyrrolo[2,3-d]pyrimidine-4-carbonitrile - CAS 1005206-16-5

Catalog:	BB000249
Product Name:	7H-Pyrrolo[2,3-d]pyrimidine-4-carbonitrile
CAS:	1005206-16-5
Synonyms:	7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile; 7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile
Description:	7H-Pyrrolo[2,3-d]pyrimidine-4-carbonitrile (CAS# 1005206-16-5) is a useful research chemical.
Molecular Weight:	144.13
Molecular Formula:	C7H4N4
Canonical SMILES:	C1=CNC2=NC=NC(=C21)C#N
InChI:	InChI=1S/C7H4N4/c8-3-6-5-1-2-9-7(5)11-4-10-6/h1-2,4H,(H,9,10,11)
InChI Key:	NEVJGNPIKVWRGX-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	0.82958

Publication Number	Title	Priority Date
CN-110022875-A	Therapeutic inhibiting compound	20160711
EP-3481391-A1	Therapeutic inhibitory compounds	20160711
US-10301284-B2	Therapeutic inhibitory compounds	20160711
US-2018297984-A1	Therapeutic inhibitory compounds	20160711
WO-2018011628-A1	Therapeutic inhibitory compounds	20160711

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Related Functional Groups

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

Complexity:	194
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.043596145
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	144.043596145
Rotatable Bond Count:	0
Topological Polar Surface Area:	65.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7