Name: Name:4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid ethyl ester
Brand: Angene
SKU: AG00ECPC
Rating: 90 (10 reviews)

4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid ethyl ester

CAS No.:

641569-97-3

Catalog Number:

AG00ECPC

Molecular Formula:

C19H18N4O2

Molecular Weight:

334.3718

Catalog Number:

AG00ECPC

Chemical Name:

4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid ethyl ester

CAS Number:

641569-97-3

Molecular Formula:

C19H18N4O2

Molecular Weight:

334.3718

MDL Number:

MFCD11100712

IUPAC Name:

ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate

InChI:

InChI=1S/C19H18N4O2/c1-3-25-18(24)14-7-6-13(2)17(11-14)23-19-21-10-8-16(22-19)15-5-4-9-20-12-15/h4-12H,3H2,1-2H3,(H,21,22,23)

InChI Key:

SYTLMFJJRMLMIO-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C

Complexity:

434

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

334.143g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

334.379g/mol

Monoisotopic Mass:

334.143g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3