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PF-06843195

CAT: 0607-BA8747-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8747-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2067281-51-8
Form
A solid
Molecular Formula
C20H25F3N8O4
Molecular Weight
498.46
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

PF-06843195
CAS Number2067281-51-8
PubChem CID124193915
IUPAC Name2,2-difluoroethyl (3S)-3-[[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-yl]amino]-3-(hydroxymethyl)pyrrolidine-1-carboxylate
Molecular FormulaC20H25F3N8O4
Molecular Weight498.5
XLogP0.4
Topological Polar Surface Area152
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity701
SMILES
C1CN(C[C@@]1(CO)NC2=NC(=NC(=C2F)C3=CN=C(N=C3)N)N4CCOCC4)C(=O)OCC(F)F
InChI
InChI=1S/C20H25F3N8O4/c21-13(22)9-35-19(33)31-2-1-20(10-31,11-32)29-16-14(23)15(12-7-25-17(24)26-8-12)27-18(28-16)30-3-5-34-6-4-30/h7-8,13,32H,1-6,9-11H2,(H2,24,25,26)(H,27,28,29)/t20-/m0/s1
InChIKey
RTOREZYNLPQUKM-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of PF-06843195
CAS: 2067281-51-8
CID: 124193915
Formula: C20H25F3N8O4
MW: 498.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.5
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass498.19508579
Monoisotopic Mass498.19508579
Topological Polar Surface Area152 Ų
Heavy Atom Count35
Formal Charge0
Complexity701
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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