5,6-dimethylpyrimidine-4-carboxylic acid - CAS 933745-98-3

Catalog:	BB040886
Product Name:	5,6-dimethylpyrimidine-4-carboxylic acid
CAS:	933745-98-3
Synonyms:	5,6-dimethyl-4-pyrimidinecarboxylic acid; 5,6-dimethylpyrimidine-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5,6-dimethylpyrimidine-4-carboxylic acid
Description:	5,6-dimethylpyrimidine-4-carboxylic acid (CAS# 933745-98-3) is a useful research chemical.
Molecular Weight:	152.153
Molecular Formula:	C7H8N2O2
Canonical SMILES:	CC1=C(N=CN=C1C)C(=O)O
InChI:	InChI=1S/C7H8N2O2/c1-4-5(2)8-3-9-6(4)7(10)11/h3H,1-2H3,(H,10,11)
InChI Key:	PXOZIDJACWTSFP-UHFFFAOYSA-N
LogP:	0.79160

Publication Number	Title	Priority Date
US-2010331305-A1	Oxo-heterocycle fused pyrimidine compounds, compositions and methods of use	20090624
US-2009005359-A1	Heterocyclic Compounds Useful as RAF Kinase Inhibitors	20070629
US-2009036419-A1	Compounds useful as raf kinase inhibitors	20070629
US-2013065858-A1	Compounds useful as raf kinase inhibitors	20070629
US-2015080568-A1	Compounds useful as raf kinase inhibitors	20070629

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Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.058577502
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.058577502
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8