2,4-Dimethylpyrimidine-5-carbonitrile - CAS 4450-24-2

Catalog:	BB025627
Product Name:	2,4-Dimethylpyrimidine-5-carbonitrile
CAS:	4450-24-2
Synonyms:	2,4-dimethyl-5-pyrimidinecarbonitrile; 2,4-dimethylpyrimidine-5-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2,4-dimethylpyrimidine-5-carbonitrile
Description:	2,4-Dimethylpyrimidine-5-carbonitrile (CAS# 4450-24-2 ) is a useful research chemical.
Molecular Weight:	133.15
Molecular Formula:	C7H7N3
Canonical SMILES:	CC1=NC(=NC=C1C#N)C
InChI:	InChI=1S/C7H7N3/c1-5-7(3-8)4-9-6(2)10-5/h4H,1-2H3
InChI Key:	MSGZHTWPQMGROE-UHFFFAOYSA-N
Boiling Point:	244.5 °C at 760 mmHg
Density:	1.12 g/cm³
LogP:	0.96508

Publication Number	Title	Priority Date
EP-3656769-A1	Aryl-phosphorus-oxygen compound as egfr kinase inhibitor	20170719
US-2020207768-A1	Aryl-Phosphorus-Oxygen Compound As EGFR Kinase Inhibitor	20170719
EP-3647311-A1	Rho-associated protein kinase inhibitor, pharmaceutical composition comprising same, and preparation method and use thereof	20170630
US-2016264554-A1	Polycyclic inhibitors of cyclin-dependent kinase 7 (cdk7)	20131018
WO-2015058140-A1	Polycyclic inhibitors of cyclin-dependent kinase 7 (cdk7)	20131018

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.063997236
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	133.063997236
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7