CAS 118-78-5 | 5-Aminopyrimidine-2,4,6(1H,3H,5H)-trione | CAS Number 118-78-5

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118-78-5 | 5-Aminopyrimidine-2,4,6(1H,3H,5H)-trione

CAS No: 118-78-5 Catalog No: AG003V9Z MDL No:MFCD00023873

Product Description

Catalog Number:

AG003V9Z

Chemical Name:

5-Aminopyrimidine-2,4,6(1H,3H,5H)-trione

CAS Number:

118-78-5

Molecular Formula:

C4H5N3O3

Molecular Weight:

143.1008

MDL Number:

MFCD00023873

IUPAC Name:

5-amino-1,3-diazinane-2,4,6-trione

InChI:

InChI=1S/C4H5N3O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,5H2,(H2,6,7,8,9,10)

InChI Key:

PSQZLWHRJMYZHD-UHFFFAOYSA-N

SMILES:

NC1C(=O)NC(=O)NC1=O

EC Number:

204-277-0

UNII:

3QDD44YV7R

Properties

Complexity:

192

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

143.033g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

143.102g/mol

Monoisotopic Mass:

143.033g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.1

Literature

Title	Journal
Compound instability in dimethyl sulphoxide, case studies with 5-aminopyrimidines and the implications for compound storage and screening.	Bioorganic & medicinal chemistry letters 20121015
Structure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii.	Biochemical pharmacology 19940817