5,6-Diaminouracil - CAS 3240-72-0

Name: 5,6-Diaminouracil
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021286
Product Name:	5,6-Diaminouracil
CAS:	3240-72-0
Synonyms:	5,6-Diamino-2,4-dihydroxypyrimidine; 4,5-Diaminouracil; 5,6-diamino-1H-pyrimidine-2,4-dione; 2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-, monohydrochloride; 5,6-DIAMINOURACIL MONOHYDROCHLORIDE; 5,6-diaminopyrimidine-2,4(1H,3H)-dione; 4,5-DIAMINOURACIL,HYDROCHLORIDE SALT

Technical Data

Related CAS:	42965-55-9 (sulfate (1:1)) 63981-35-1 (sulfate (2:1))
IUPAC Name:	5,6-diamino-1H-pyrimidine-2,4-dione
Description:	5,6-Diaminouracil (CAS# 3240-72-0) is a useful research chemical.
Molecular Weight:	178.58
Molecular Formula:	C4H7ClN4O2
Canonical SMILES:	C1(=C(NC(=O)NC1=O)N)N
InChI:	InChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)
InChI Key:	BBTNLADSUVOPPN-UHFFFAOYSA-N
Boiling Point:	778.7 °C at 760 mmHg
Melting Point:	> 250 °C
Purity:	≥ 95 %
Density:	1.48±0.06 g/cm³
MDL:	MFCD00023155
LogP:	0.19200

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
25431972	20150215	A directed-overflow and damage-control N-glycosidase in riboflavin biosynthesis	The Biochemical journal
22989530	20121015	Compound instability in dimethyl sulphoxide, case studies with 5-aminopyrimidines and the implications for compound storage and screening	Bioorganic & medicinal chemistry letters
22153940	20120101	Synthesis of [¹¹C]uric acid, using [¹¹C]phosgene, as a possible biomarker in PET imaging for diagnosis of gout	Bioorganic & medicinal chemistry letters
17884007	20071201	High-performance liquid chromatographic determination of glyoxal and methylglyoxal in urine by prederivatization to lumazinic rings using in serial fast scan fluorimetric and diode array detectors	Analytical biochemistry
16920007	20070201	Vibrational spectra and structure of 5,6-diamino uracil and 5,6-dihydro-5-methyl uracil by density functional theory calculations	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.04907545
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	142.04907545
Rotatable Bond Count:	0
Topological Polar Surface Area:	110 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.9