Name: Name:3,7-bis(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Brand: Angene
SKU: AG019IEC
Rating: 90 (10 reviews)

3,7-bis(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

CAS No.:

730950-15-9

Catalog Number:

AG019IEC

Molecular Formula:

C13H20N4O2

Molecular Weight:

264.3235

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Product Description

Catalog Number:

AG019IEC

Chemical Name:

3,7-bis(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

CAS Number:

730950-15-9

Molecular Formula:

C13H20N4O2

Molecular Weight:

264.3235

MDL Number:

MFCD04621537

IUPAC Name:

3,7-bis(2-methylpropyl)purine-2,6-dione

InChI:

InChI=1S/C13H20N4O2/c1-8(2)5-16-7-14-11-10(16)12(18)15-13(19)17(11)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,15,18,19)

InChI Key:

XKHVGGWQNAGVJF-UHFFFAOYSA-N

SMILES:

CC(Cn1c(=O)[nH]c(=O)c2c1ncn2CC(C)C)C

Properties

Complexity:

370

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

264.159g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

264.329g/mol

Monoisotopic Mass:

264.159g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101