Name: Name:3-{[(4-methylpyrimidin-2-yl)amino]methyl}benzoic acid
Brand: Angene
SKU: AG01A52Y
Rating: 90 (10 reviews)

3-{[(4-methylpyrimidin-2-yl)amino]methyl}benzoic acid

CAS No.:

1271189-38-8

Catalog Number:

AG01A52Y

Molecular Formula:

C13H13N3O2

Molecular Weight:

243.2612

Catalog Number:

AG01A52Y

Chemical Name:

3-{[(4-methylpyrimidin-2-yl)amino]methyl}benzoic acid

CAS Number:

1271189-38-8

Molecular Formula:

C13H13N3O2

Molecular Weight:

243.2612

MDL Number:

MFCD17411775

IUPAC Name:

3-[[(4-methylpyrimidin-2-yl)amino]methyl]benzoic acid

InChI:

InChI=1S/C13H13N3O2/c1-9-5-6-14-13(16-9)15-8-10-3-2-4-11(7-10)12(17)18/h2-7H,8H2,1H3,(H,17,18)(H,14,15,16)

InChI Key:

MDJFNGBAXBUZFB-UHFFFAOYSA-N

SMILES:

Cc1ccnc(n1)NCc1cccc(c1)C(=O)O

Complexity:

285

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:

1.9