2,4-Dimethoxypyrimidine-5-carboxaldehyde - CAS 52606-02-7

Catalog:	BB027886
Product Name:	2,4-Dimethoxypyrimidine-5-carboxaldehyde
CAS:	52606-02-7
Synonyms:	2,4-dimethoxy-5-pyrimidinecarboxaldehyde; 2,4-dimethoxypyrimidine-5-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	2,4-dimethoxypyrimidine-5-carbaldehyde
Description:	A useful synthetic intermediate.
Molecular Weight:	168.15
Molecular Formula:	C7H8N2O3
Canonical SMILES:	COC1=NC(=NC=C1C=O)OC
InChI:	InChI=1S/C7H8N2O3/c1-11-6-5(4-10)3-8-7(9-6)12-2/h3-4H,1-2H3
InChI Key:	AJTAWJHBACJZAL-UHFFFAOYSA-N
Boiling Point:	330.7 °C at 760 mmHg
Density:	1.24 g/cm³
MDL:	MFCD00132992
LogP:	0.30630

Publication Number	Title	Priority Date
US-2017360801-A1	Bromodomain inhibitor as adjuvant in cancer immunotherapy	20141205
US-10813939-B2	Bromodomain inhibitor as adjuvant in cancer immunotherapy	20141205
US-2017145013-A1	Dihydropteridinone derivatives and uses thereof	20140808
US-2015291521-A1	Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors	20121102
US-9567301-B2	Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors	20121102

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Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.05349212
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.05349212
Rotatable Bond Count:	3
Topological Polar Surface Area:	61.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3