Name: Name:ethyl 5-amino-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate
Brand: Angene
SKU: AG018WSB
Rating: 90 (10 reviews)

ethyl 5-amino-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate

CAS No.:

91644-39-2

Catalog Number:

AG018WSB

Molecular Formula:

C12H15N5O2

Molecular Weight:

261.2798

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Product Description

Catalog Number:

AG018WSB

Chemical Name:

ethyl 5-amino-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate

CAS Number:

91644-39-2

Molecular Formula:

C12H15N5O2

Molecular Weight:

261.2798

MDL Number:

MFCD00709888

IUPAC Name:

ethyl 5-amino-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carboxylate

InChI:

InChI=1S/C12H15N5O2/c1-4-19-11(18)9-6-14-17(10(9)13)12-15-7(2)5-8(3)16-12/h5-6H,4,13H2,1-3H3

InChI Key:

CXLVWGJEYPJEAG-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnn(c1N)c1nc(C)cc(n1)C

Properties

Complexity:

317

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.123g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.285g/mol

Monoisotopic Mass:

261.123g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

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