4-(2-Fluoro-2-propyl)pyrimidine-5-carbonitrile - CAS 1427195-26-3

Catalog:	BB009401
Product Name:	4-(2-Fluoro-2-propyl)pyrimidine-5-carbonitrile
CAS:	1427195-26-3
Synonyms:	4-(2-fluoropropan-2-yl)-5-pyrimidinecarbonitrile; 4-(2-fluoropropan-2-yl)pyrimidine-5-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	4-(2-fluoropropan-2-yl)pyrimidine-5-carbonitrile
Description:	4-(2-Fluoro-2-propyl)pyrimidine-5-carbonitrile (CAS# 1427195-26-3) is a useful research chemical.
Molecular Weight:	165.17
Molecular Formula:	C8H8FN3
Canonical SMILES:	CC(C)(C1=NC=NC=C1C#N)F
InChI:	InChI=1S/C8H8FN3/c1-8(2,9)7-6(3-10)4-11-5-12-7/h4-5H,1-2H3
InChI Key:	UPWCPAJBQKHINB-UHFFFAOYSA-N
LogP:	1.55288

Publication Number	Title	Priority Date
AU-2014369031-A1	Substituted Diaminopyrimidyl Compounds, compositions thereof, and methods of treatment therewith	20131220
CA-2934061-A1	Substituted diaminopyrimidyl compounds, compositions thereof, and methods of treatment therewith	20131220
EP-3082819-A1	Substituted diaminopyrimidyl compounds, compositions thereof, and methods of treatment therewith	20131220
EP-3082819-B1	Substituted diaminopyrimidyl compounds, compositions thereof, and methods of treatment therewith	20131220
JP-2017500325-A	Substituted diaminopyrimidyl compounds, compositions thereof, and methods of treatment therewith	20131220

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Related Functional Groups

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Complexity:	206
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.07022543
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.07022543
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7