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Compound Fr16630

CAT: 0931-Fr16630-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr16630-02Size:2 mg
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CAS Number
91678-81-8
Bioactivity
Compound Fr16630, with CAS No. 91678-81-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16630 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
CC1=CN=C(N)C(C)=N1
Molecular Formula
C6H9N3
Molecular Weight
123.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Amino-3,5-dimethylpyrazine

3,5-Dimethylpyrazin-2-amine is a member of pyrazines.

CAS Number91678-81-8
PubChem CID2774764
IUPAC Name3,5-dimethylpyrazin-2-amine
Molecular FormulaC6H9N3
Molecular Weight123.16
XLogP0.2
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity94
SMILES
CC1=CN=C(C(=N1)C)N
InChI
InChI=1S/C6H9N3/c1-4-3-8-6(7)5(2)9-4/h3H,1-2H3,(H2,7,8)
InChIKey
GZZRWBRYYZGTNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-3,5-dimethylpyrazine
CAS: 91678-81-8
CID: 2774764
Formula: C6H9N3
MW: 123.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight123.16
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass123.079647300
Monoisotopic Mass123.079647300
Topological Polar Surface Area51.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.3
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
Fr16632-01Compound Fr16632
Fr12630-01Compound Fr12630
Fr16730-01Compound Fr16730
Fr16639-01Compound Fr16639
Fr16690-01Compound Fr16690
Fr16660-01Compound Fr16660
Fr16620-01Compound Fr16620
Fr16603-01Compound Fr16603
Fr16634-01Compound Fr16634
Fr16631-01Compound Fr16631

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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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