Name: Name:4-[(4,6-Dimethylpyrimidin-2-yl)amino]benzoic acid
Brand: Angene
SKU: AG004Z4L
Rating: 90 (10 reviews)

4-[(4,6-Dimethylpyrimidin-2-yl)amino]benzoic acid

CAS No.:

81261-97-4

Catalog Number:

AG004Z4L

Molecular Formula:

C13H13N3O2

Molecular Weight:

243.2612

Catalog Number:

AG004Z4L

Chemical Name:

4-[(4,6-Dimethylpyrimidin-2-yl)amino]benzoic acid

CAS Number:

81261-97-4

Molecular Formula:

C13H13N3O2

Molecular Weight:

243.2612

MDL Number:

MFCD00203264

IUPAC Name:

4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid

InChI:

InChI=1S/C13H13N3O2/c1-8-7-9(2)15-13(14-8)16-11-5-3-10(4-6-11)12(17)18/h3-7H,1-2H3,(H,17,18)(H,14,15,16)

InChI Key:

YVQYEHFOENIYSU-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)Nc1nc(C)cc(n1)C

Complexity:

280

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.266g/mol

Monoisotopic Mass:

243.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4