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PI5P4Ks-IN-2

CAT: 0607-BA8278-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8278-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2766854-03-7
Form
A solid
Molecular Formula
C22H23N5
Molecular Weight
357.45
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

PI5P4Ks-IN-2
CAS Number2766854-03-7
PubChem CID163321784
IUPAC Name5-methyl-2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
Molecular FormulaC22H23N5
Molecular Weight357.5
XLogP3.9
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity470
SMILES
CC(C)C1=CC=CC=C1C2=NC3=C(C(=N2)NCC4=CC=CC=N4)N(C=C3)C
InChI
InChI=1S/C22H23N5/c1-15(2)17-9-4-5-10-18(17)21-25-19-11-13-27(3)20(19)22(26-21)24-14-16-8-6-7-12-23-16/h4-13,15H,14H2,1-3H3,(H,24,25,26)
InChIKey
XIEZMAUGHWKZDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PI5P4Ks-IN-2
CAS: 2766854-03-7
CID: 163321784
Formula: C22H23N5
MW: 357.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.5
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass357.19534575
Monoisotopic Mass357.19534575
Topological Polar Surface Area55.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity470
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

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