Name: Name:4-Pyrimidinecarboxylic acid, 5-chloro-2-(4-morpholinyl)-
Brand: Angene
SKU: AG00I688
Rating: 90 (10 reviews)

4-Pyrimidinecarboxylic acid, 5-chloro-2-(4-morpholinyl)-

CAS No.:

327064-07-3

Catalog Number:

AG00I688

Molecular Formula:

C9H10ClN3O3

Molecular Weight:

243.6470

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Product Description

Catalog Number:

AG00I688

Chemical Name:

4-Pyrimidinecarboxylic acid, 5-chloro-2-(4-morpholinyl)-

CAS Number:

327064-07-3

Molecular Formula:

C9H10ClN3O3

Molecular Weight:

243.6470

MDL Number:

MFCD02709682

IUPAC Name:

5-chloro-2-morpholin-4-ylpyrimidine-4-carboxylic acid

InChI:

InChI=1S/C9H10ClN3O3/c10-6-5-11-9(12-7(6)8(14)15)13-1-3-16-4-2-13/h5H,1-4H2,(H,14,15)

InChI Key:

COKXEMMIPVQCNB-UHFFFAOYSA-N

SMILES:

OC(=O)c1nc(ncc1Cl)N1CCOCC1

Properties

Complexity:

260

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.647g/mol

Monoisotopic Mass:

243.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

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