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DMX-129

CAT: 0013-GTR19186987-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186987-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DMX-129
CAS Number
1623123-95-4
Field of Research
Signal Transduction
Smiles
C (#N) C1=C (N=CC (=C1) C2=NC (NC=3C=CC (N) =NC3) =NC=C2) N4CC[C@H] (F) C4
Molecular Formula
C19H17FN8
Molecular Weight
376.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[2-[(6-amino-3-pyridinyl)amino]pyrimidin-4-yl]-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine-3-carbonitrile
CAS Number1623123-95-4
PubChem CID90358300
IUPAC Name5-[2-[(6-amino-3-pyridinyl)amino]pyrimidin-4-yl]-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine-3-carbonitrile
Molecular FormulaC19H17FN8
Molecular Weight376.4
XLogP2
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity567
SMILES
C1CN(C[C@H]1F)C2=C(C=C(C=N2)C3=NC(=NC=C3)NC4=CN=C(C=C4)N)C#N
InChI
InChI=1S/C19H17FN8/c20-14-4-6-28(11-14)18-12(8-21)7-13(9-25-18)16-3-5-23-19(27-16)26-15-1-2-17(22)24-10-15/h1-3,5,7,9-10,14H,4,6,11H2,(H2,22,24)(H,23,26,27)/t14-/m0/s1
InChIKey
YDMKWHGXAARJJK-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of 5-[2-[(6-amino-3-pyridinyl)amino]pyrimidin-4-yl]-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine-3-carbonitrile
CAS: 1623123-95-4
CID: 90358300
Formula: C19H17FN8
MW: 376.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.4
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass376.15602074
Monoisotopic Mass376.15602074
Topological Polar Surface Area117 Ų
Heavy Atom Count28
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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