Name: Name:Pyrimidine, 5-bromo-2,4-bis(1,1-dimethylethoxy)-
Brand: Angene
SKU: AG002AV9
Rating: 90 (10 reviews)

Pyrimidine, 5-bromo-2,4-bis(1,1-dimethylethoxy)-

CAS No.:

19752-61-5

Catalog Number:

AG002AV9

Molecular Formula:

C12H19BrN2O2

Molecular Weight:

303.1955

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Product Description

Catalog Number:

AG002AV9

Chemical Name:

Pyrimidine, 5-bromo-2,4-bis(1,1-dimethylethoxy)-

CAS Number:

19752-61-5

Molecular Formula:

C12H19BrN2O2

Molecular Weight:

303.1955

MDL Number:

MFCD01927527

IUPAC Name:

5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine

InChI:

InChI=1S/C12H19BrN2O2/c1-11(2,3)16-9-8(13)7-14-10(15-9)17-12(4,5)6/h7H,1-6H3

InChI Key:

MAWUVEDTRZARNC-UHFFFAOYSA-N

SMILES:

Brc1cnc(nc1OC(C)(C)C)OC(C)(C)C

Properties

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

302.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

303.2g/mol

Monoisotopic Mass:

302.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5

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

Properties