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Compound Fr12136

CAT: 0013-GTR19269767-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269767-02Size:5 mg
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Description
Compound Fr12136, with CAS No. 69491-59-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12136 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
69491-59-4
Smiles
NC1=CC=CC (=C1) C1=CN=CN=C1
Molecular Formula
C10H9N3
Molecular Weight
171.1986
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Pyrimidin-5-ylaniline
CAS Number69491-59-4
PubChem CID7162049
IUPAC Name3-pyrimidin-5-ylaniline
Molecular FormulaC10H9N3
Molecular Weight171.20
XLogP1.1
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity154
SMILES
C1=CC(=CC(=C1)N)C2=CN=CN=C2
InChI
InChI=1S/C10H9N3/c11-10-3-1-2-8(4-10)9-5-12-7-13-6-9/h1-7H,11H2
InChIKey
DZEIKJMNXHOFHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Pyrimidin-5-ylaniline
CAS: 69491-59-4
CID: 7162049
Formula: C10H9N3
MW: 171.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.20
XLogP31.1
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
Complexity154
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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GTR19269765-01Compound Fr12132
GTR19269766-01Compound Fr12134
GTR19270047-01Compound Fr14196
GTR19269864-01Compound Fr12986
GTR19269826-01Compound Fr12616
GTR19269773-01Compound Fr12173

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090

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