CAS 6642-31-5 | 6-Amino-1,3-Dimethyl-1,2,3,4-Tetrahydropyrimidine-2,4-Dione | CAS Number 6642-31-5

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6642-31-5 | 6-Amino-1,3-Dimethyl-1,2,3,4-Tetrahydropyrimidine-2,4-Dione

CAS No: 6642-31-5 Catalog No: AG0036U3 MDL No:MFCD00006552

Product Description

Catalog Number:

AG0036U3

Chemical Name:

6-Amino-1,3-Dimethyl-1,2,3,4-Tetrahydropyrimidine-2,4-Dione

CAS Number:

6642-31-5

Molecular Formula:

C6H9N3O2

Molecular Weight:

155.1546

MDL Number:

MFCD00006552

IUPAC Name:

6-amino-1,3-dimethylpyrimidine-2,4-dione

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

SMILES:

Nc1cc(=O)n(c(=O)n1C)C

EC Number:

229-662-0

NSC Number:

15492

Properties

Complexity:

246

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

155.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

155.157g/mol

Monoisotopic Mass:

155.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
New one-pot four-component synthesis of disubstituted pyrido[2,3-d]pyrimidine-6-carboxamide derivatives.	Journal of combinatorial chemistry 20090101
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 20080901
Synthesis and pharmacology of pyrido[2,3-d]pyrimidinediones bearing polar substituents as adenosine receptor antagonists.	Bioorganic & medicinal chemistry 20060415
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 20030401