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N-phenylpyrimidin-4-amine

CAS No.:
50827-24-2
Catalog Number:
AG01BNDJ
Molecular Formula:
C10H9N3
Molecular Weight:
171.1986
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Product Description
Catalog Number:
AG01BNDJ
Chemical Name:
N-phenylpyrimidin-4-amine
CAS Number:
50827-24-2
Molecular Formula:
C10H9N3
Molecular Weight:
171.1986
MDL Number:
MFCD18452310
IUPAC Name:
N-phenylpyrimidin-4-amine
InChI:
InChI=1S/C10H9N3/c1-2-4-9(5-3-1)13-10-6-7-11-8-12-10/h1-8H,(H,11,12,13)
InChI Key:
JLVLBDODYLEYOY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Nc1ccncn1
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.08g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.203g/mol
Monoisotopic Mass:
171.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis of New 6-{[ω-(Dialkylamino(heterocyclyl)alkyl]thio}-3-R-2H-[1,2,4]triazino[2,3-c]quinazoline-2-ones and Evaluation of their Anticancer and Antimicrobial Activities. Scientia pharmaceutica 20120101
Prediction of inhibitory activity of epidermal growth factor receptor inhibitors using grid search-projection pursuit regression method. PloS one 20110101
2D QSAR Studies of Several Potent Aminopyridine, Anilinopyrimidine and Pyridine Carboxamide-based JNK Inhibitors. Indian journal of pharmaceutical sciences 20110101
Potent cardioprotective effect of the 4-anilinoquinazoline derivative PD153035: involvement of mitochondrial K(ATP) channel activation. PloS one 20100101
Properties