Name: Name:3-methyl-1-propyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione
Brand: Angene
SKU: AG019ISA
Rating: 90 (10 reviews)

3-methyl-1-propyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione

CAS No.:

851169-34-1

Catalog Number:

AG019ISA

Molecular Formula:

C10H13N3O3

Molecular Weight:

223.2285

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Purity

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Product Description

Catalog Number:

AG019ISA

Chemical Name:

3-methyl-1-propyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione

CAS Number:

851169-34-1

Molecular Formula:

C10H13N3O3

Molecular Weight:

223.2285

MDL Number:

MFCD06654965

IUPAC Name:

3-methyl-1-propyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,5-trione

InChI:

InChI=1S/C10H13N3O3/c1-3-4-13-8-7(6(14)5-11-8)9(15)12(2)10(13)16/h11H,3-5H2,1-2H3

InChI Key:

HQMFMPQQIZVRKN-UHFFFAOYSA-N

SMILES:

CCCn1c2NCC(=O)c2c(=O)n(c1=O)C

Properties

Complexity:

414

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.232g/mol

Monoisotopic Mass:

223.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501