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Compound Fr12911

CAT: 0931-Fr12911-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12911-02Size:2 mg
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CAS Number
921939-11-9
Bioactivity
Compound Fr12911, with CAS No. 921939-11-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12911 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.
Smiles
CNCc1cnc(nc1)-c1ccccc1
Molecular Formula
C12H13N3
Molecular Weight
199.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-methyl-(2-phenylpyrimidin-5-yl)methylamine
CAS Number921939-11-9
PubChem CID24229727
IUPAC NameN-methyl-1-(2-phenylpyrimidin-5-yl)methanamine
Molecular FormulaC12H13N3
Molecular Weight199.25
XLogP1.2
Topological Polar Surface Area37.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity170
SMILES
CNCC1=CN=C(N=C1)C2=CC=CC=C2
InChI
InChI=1S/C12H13N3/c1-13-7-10-8-14-12(15-9-10)11-5-3-2-4-6-11/h2-6,8-9,13H,7H2,1H3
InChIKey
BEURLXDVKSQEIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-methyl-(2-phenylpyrimidin-5-yl)methylamine
CAS: 921939-11-9
CID: 24229727
Formula: C12H13N3
MW: 199.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.25
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass199.110947427
Monoisotopic Mass199.110947427
Topological Polar Surface Area37.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity170
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

CatalogName
Fr12910-01Compound Fr12910
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Fr12311-01Compound Fr12311
Fr12191-01Compound Fr12191
Fr12921-01Compound Fr12921
Fr12811-01Compound Fr12811
Fr12611-01Compound Fr12611

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-14176-01Compound E
255023-01Compound 401
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254
MBS3613444-01Compound W
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MBS3613756-01Compound 23

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