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Compound Fr12137

CAT: 0013-GTR19269770-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269770-01Size:1 mg
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Description
Compound Fr12137, with CAS No. 69491-57-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12137 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
69491-57-2
Smiles
Nc1ccc (cc1) -c1ncccn1
Molecular Formula
C10H9N3
Molecular Weight
171.1986
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(Pyrimidin-2-yl)aniline
CAS Number69491-57-2
PubChem CID12456170
IUPAC Name4-pyrimidin-2-ylaniline
Molecular FormulaC10H9N3
Molecular Weight171.20
XLogP1.2
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity146
SMILES
C1=CN=C(N=C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H9N3/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7H,11H2
InChIKey
RUVNVJCKWOOLOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Pyrimidin-2-yl)aniline
CAS: 69491-57-2
CID: 12456170
Formula: C10H9N3
MW: 171.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.20
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass171.079647300
Monoisotopic Mass171.079647300
Topological Polar Surface Area51.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity146
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

Related Products

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GTR19269766-01Compound Fr12134
GTR19269893-01Compound Fr13217
GTR19269870-01Compound Fr13037
GTR19269853-01Compound Fr12887
GTR19269796-01Compound Fr12378
GTR19269777-01Compound Fr12196

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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