Name: Name:3-{[(4,6-dimethylpyrimidin-2-yl)amino]methyl}benzoic acid
Brand: Angene
SKU: AG01A4MT
Rating: 90 (10 reviews)

3-{[(4,6-dimethylpyrimidin-2-yl)amino]methyl}benzoic acid

CAS No.:

1184598-04-6

Catalog Number:

AG01A4MT

Molecular Formula:

C14H15N3O2

Molecular Weight:

257.2878

Catalog Number:

AG01A4MT

Chemical Name:

3-{[(4,6-dimethylpyrimidin-2-yl)amino]methyl}benzoic acid

CAS Number:

1184598-04-6

Molecular Formula:

C14H15N3O2

Molecular Weight:

257.2878

MDL Number:

MFCD13166810

IUPAC Name:

3-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]benzoic acid

InChI:

InChI=1S/C14H15N3O2/c1-9-6-10(2)17-14(16-9)15-8-11-4-3-5-12(7-11)13(18)19/h3-7H,8H2,1-2H3,(H,18,19)(H,15,16,17)

InChI Key:

AVNDYXRFXCXICQ-UHFFFAOYSA-N

SMILES:

Cc1cc(C)nc(n1)NCc1cccc(c1)C(=O)O

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.293g/mol

Monoisotopic Mass:

257.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3