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DB07268 25mg

CAT: 0628-A15061-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A15061-25Size:25 mg
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CAS Number
929007-72-7

Chemical Information

2-((2-((3-Hydroxyphenyl)amino)pyrimidin-4-yl)amino)benzamide

2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide is a member of benzamides and an aminopyrimidine. It has a role as a protein kinase inhibitor.

CAS Number929007-72-7
PubChem CID16058637
IUPAC Name2-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]benzamide
Molecular FormulaC17H15N5O2
Molecular Weight321.33
XLogP3
Topological Polar Surface Area113
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity422
SMILES
C1=CC=C(C(=C1)C(=O)N)NC2=NC(=NC=C2)NC3=CC(=CC=C3)O
InChI
InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)
InChIKey
QHPKKGUGRGRSGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((2-((3-Hydroxyphenyl)amino)pyrimidin-4-yl)amino)benzamide
CAS: 929007-72-7
CID: 16058637
Formula: C17H15N5O2
MW: 321.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.33
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass321.12257474
Monoisotopic Mass321.12257474
Topological Polar Surface Area113 Ų
Heavy Atom Count24
Formal Charge0
Complexity422
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

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