Home Aminos 4-({[4-(Pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid

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

CAS No.:
849235-68-3
Catalog Number:
AG00GLUH
Molecular Formula:
C17H14N4O2
Molecular Weight:
306.3187
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Product Description
Catalog Number:
AG00GLUH
Chemical Name:
4-({[4-(Pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid
CAS Number:
849235-68-3
Molecular Formula:
C17H14N4O2
Molecular Weight:
306.3187
MDL Number:
MFCD18816940
IUPAC Name:
4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzoic acid
InChI:
InChI=1S/C17H14N4O2/c22-16(23)13-5-3-12(4-6-13)10-20-17-19-9-7-15(21-17)14-2-1-8-18-11-14/h1-9,11H,10H2,(H,22,23)(H,19,20,21)
InChI Key:
WTKURPVKNVDIFM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)CNc1nccc(n1)c1cccnc1
Properties
Complexity:
385  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.112g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
306.325g/mol
Monoisotopic Mass:
306.112g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties