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Imatinib EP Impurity F

CAT: 1596-AR-I01299-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I01299-01Size:50 Units
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CAS Number
152460-10-1
Synonyms
6-methyl-N1- (4- (pyridin-3-yl) pyrimidin-2-yl) benzene-1,3-diamine; 4-Methyl-3-[4- (3-pyridyl) pyrimidin-2-ylamino]aniline; 4-Methyl-N3-[4- (3-pyridinyl) -2-pyrimidinyl]-1,3-benzenediamine; Imatinib EP Impurity F
Molecular Formula
C16H15N5
Molecular Weight
277.33
API Name
Imatinib

Chemical Information

Imatinib amine
CAS Number152460-10-1
PubChem CID9965429
IUPAC Name4-methyl-3-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine
Molecular FormulaC16H15N5
Molecular Weight277.32
XLogP2.4
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity324
SMILES
CC1=C(C=C(C=C1)N)NC2=NC=CC(=N2)C3=CN=CC=C3
InChI
InChI=1S/C16H15N5/c1-11-4-5-13(17)9-15(11)21-16-19-8-6-14(20-16)12-3-2-7-18-10-12/h2-10H,17H2,1H3,(H,19,20,21)
InChIKey
QGAIPGVQJVGBIA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imatinib amine
CAS: 152460-10-1
CID: 9965429
Formula: C16H15N5
MW: 277.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight277.32
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass277.13274550
Monoisotopic Mass277.13274550
Topological Polar Surface Area76.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity324
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes