6-Amino-1,3-dimethyluracil - CAS 6642-31-5

Name: 6-Amino-1,3-dimethyluracil
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB033030
Product Name:	6-Amino-1,3-dimethyluracil
CAS:	6642-31-5
Synonyms:	6-Amino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione; 1,3-Dimethyl-4-aminouracil; 1,3-Dimethyl-6-aminouracil; 4-Amino-1,3-dimethyl-2,6-pyrimidinedione; 4-Amino-1,3-dimethyluracil; NSC 15492; 6-Amino-1,3-Dimethyl-1,2,3,4-Tetrahydropyrimidine-2,4-Dione
Application:	6-Amino-1,3-dimethyluracil is used as a reagent in the synthesis of new pyrimidine and caffeine derivatives that display highly potential antitumor activity. It is also used as a starting material in the synthesis of fused pyrido-pyrimidines.

Technical Data

IUPAC Name:	6-amino-1,3-dimethylpyrimidine-2,4-dione
Description:	6-Amino-1,3-dimethyluracil is one of Caffeine derivatives. Caffeine is a CNS stimulant. Alkaloid, purified from plants of Coffea genus, Rubiaceae.
Molecular Weight:	155.15
Molecular Formula:	C6H9N3O2
Canonical SMILES:	CN1C(=CC(=O)N(C1=O)C)N
InChI:	InChI=1S/C6H9N3O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,7H2,1-2H3
InChI Key:	VFGRNTYELNYSKJ-UHFFFAOYSA-N
Boiling Point:	243.1±43.0°C (Predicted)
Melting Point:	>250°C (dec.)
Purity:	95%
Density:	1.288±0.06 g/cm³ (Predicted)
Solubility:	Soluble in DMSO (Slightly), Methanol (Slightly, Sonicated)
Appearance:	Pale beige solid
Storage:	Store at 2-8°C
MDL:	MFCD00006552
LogP:	-0.75260

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PMID	Publication Date	Title	Journal
19281247	20090501	New one-pot four-component synthesis of disubstituted pyrido[2,3-d]pyrimidine-6-carboxamide derivatives	Journal of combinatorial chemistry
21201659	20080806	7-(Benzyl-sulfan-yl)-5-(2-methoxy-phen-yl)-1,3-dimethyl-5,6-dihydro-pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione	Acta crystallographica. Section E, Structure reports online
16377196	20060415	Synthesis and pharmacology of pyrido[2,3-d]pyrimidinediones bearing polar substituents as adenosine receptor antagonists	Bioorganic & medicinal chemistry
12659900	20030401	1H,13C 2D NMR and X-ray studies of the products of the reaction between dibenzylidencyclohexanone and 6-amino-1,3-dimethyl uracil	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.069476538
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	155.069476538
Rotatable Bond Count:	0
Topological Polar Surface Area:	66.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1