Name: Name:3-{[(pyrimidin-4-yl)amino]methyl}benzoic acid
Brand: Angene
SKU: AG01A72V
Rating: 90 (10 reviews)

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

CAS No.:

1291584-22-9

Catalog Number:

AG01A72V

Molecular Formula:

C12H11N3O2

Molecular Weight:

229.2346

Catalog Number:

AG01A72V

Chemical Name:

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

CAS Number:

1291584-22-9

Molecular Formula:

C12H11N3O2

Molecular Weight:

229.2346

MDL Number:

MFCD13321669

IUPAC Name:

3-[(pyrimidin-4-ylamino)methyl]benzoic acid

InChI:

InChI=1S/C12H11N3O2/c16-12(17)10-3-1-2-9(6-10)7-14-11-4-5-13-8-15-11/h1-6,8H,7H2,(H,16,17)(H,13,14,15)

InChI Key:

XXVFPCCFROXGCQ-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc(c1)CNc1ccncn1

Complexity:

260

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.239g/mol

Monoisotopic Mass:

229.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5