3,5-Dimethyluracil - CAS 4160-77-4

Catalog:	BB024915
Product Name:	3,5-Dimethyluracil
CAS:	4160-77-4
Synonyms:	3,5-dimethyl-1H-pyrimidine-2,4-dione; 3,5-dimethyl-1H-pyrimidine-2,4-dione

Technical Data

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Computed Properties

IUPAC Name:	3,5-dimethyl-1H-pyrimidine-2,4-dione
Description:	3,5-Dimethyluracil (CAS# 4160-77-4 ) is a useful research chemical.
Molecular Weight:	140.14
Molecular Formula:	C6H8N2O2
Canonical SMILES:	CC1=CNC(=O)N(C1=O)C
InChI:	InChI=1S/C6H8N2O2/c1-4-3-7-6(10)8(2)5(4)9/h3H,1-2H3,(H,7,10)
InChI Key:	IIDONYMEGWHGRU-UHFFFAOYSA-N
Density:	1.189 g/cm³
LogP:	-0.61800

Publication Number	Title	Priority Date
WO-2021193165-A1	Vinyl chloride resin composition, vinyl chloride resin molded article, and laminate	20200324
US-2021254142-A1	Molecular analyses using long cell-free fragments in pregnancy	20200205
US-2021265007-A1	Molecular analyses using long cell-free fragments in pregnancy	20200205
WO-2021155831-A1	Molecular analyses using long cell-free fragments in pregnancy	20200205
WO-2021108427-A1	Excipient compounds for biopolymer formulations	20191126

PMID	Publication Date	Title	Journal
22435707	20120601	Kinetic analysis of FTO (fat mass and obesity-associated) reveals that it is unlikely to function as a sensor for 2-oxoglutarate	The Biochemical journal
22512456	20120530	Exocyclic carbons adjacent to the N6 of adenine are targets for oxidation by the Escherichia coli adaptive response protein AlkB	Journal of the American Chemical Society
22291995	20120101	Novel AlkB dioxygenases--alternative models for in silico and in vivo studies	PloS one
22004173	20111122	Flavin-induced oligomerization in Escherichia coli adaptive response protein AidB	Biochemistry
22029400	20111121	Tobacco-specific nitrosamine-derived O2-alkylthymidines are potent mutagenic lesions in SOS-induced Escherichia coli	Chemical research in toxicology

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Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.058577502
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.058577502
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4